SCHEMBL1828619

SCHEMBL1828619

CCCNCCC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 3/20 0.42
IDO1 P14902 2/20 0.40
PAM P19021 1/20 0.40
HDAC3 O15379 2/20 0.40
EGFR P00533 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1828618 1.00 SIGMAR1 (0.45) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1831309 0.89 HDAC3 (0.48) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1831307 0.89 HDAC3 (0.48) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11031731 0.88 SIGMAR1 (0.53) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1829792 0.87 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1829793 0.87 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11034241 0.86 EGFR (0.52) SIGMAR1HDAC3EGFRHDAC4HDAC1
SCHEMBL9779284 0.86 EGFR (0.52) SIGMAR1HDAC3EGFRHDAC4HDAC1
SCHEMBL11034504 0.86 EGFR (0.52) SIGMAR1HDAC3EGFRHDAC4HDAC1
SCHEMBL11032819 0.86 EGFR (0.52) SIGMAR1HDAC3EGFRHDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677557-B1 Dyes and the use thereof in inks for ink jet printing process BAYER AG (DE) 1999-01-13 EP claimed
US-5503666-A FROM POLYAMINES, COMPOUNDS WITH AT LEAST TWO GROUPS REACTIVE TOWARD AMINES, DYESTUFFS, AND CARBONYL- OR SULFONYL-CONTAINING ACYLATING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US claimed
EP-0677557-A1 Dyes and the use thereof in inks for ink jet printing process BAYER AG (DE) 1995-10-18 EP claimed
US-8399594-B2 Blocked-isocyanate silicone resins DOW CORNING CORPORATION (US) 2013-03-19 US disclosed
EP-2102286-B1 BLOCKED ISOCYANATE SILICONE RESINS DOW CORNING (US) 2011-05-11 EP disclosed
US-20100093902-A1 Blocked-Isocyanate Silicone Resins DOW CORNING CORPORATION 2010-04-15 US disclosed
EP-2102286-A1 BLOCKED ISOCYANATE SILICONE RESINS Dow Corning Corporation (US) 2009-09-23 EP disclosed
WO-2008088492-A1 BLOCKED ISOCYANATE SILICONE RESINS DOW CORNING CORPORATRION (US) 2008-07-24 WO disclosed
US-20070167587-A1 Process for producing polymer with functional end KURARAY CO., LTD. (JP) 2007-07-19 US disclosed
EP-1721912-A1 PROCESS FOR PRODUCING POLYMER WITH FUNCTIONAL END KURARAY CO., LTD. (JP) 2006-11-15 EP disclosed
EP-1509568-A1 RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS Lanxess Deutschland GmbH (DE) 2005-03-02 EP disclosed
EP-0677557-B1 Dyes and the use thereof in inks for ink jet printing process BAYER AG (DE) 1999-01-13 EP disclosed
US-5503666-A FROM POLYAMINES, COMPOUNDS WITH AT LEAST TWO GROUPS REACTIVE TOWARD AMINES, DYESTUFFS, AND CARBONYL- OR SULFONYL-CONTAINING ACYLATING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0677557-A1 Dyes and the use thereof in inks for ink jet printing process BAYER AG (DE) 1995-10-18 EP disclosed
US-5015551-A Resin particles dispersed in a dielectric nonaqueous solvent for making printing plates or sheets FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed
US-4471079-A POLYMERIC DYE FROM POLYMER CONTAINING AMINO GROUPS AND ANIONIC OR REACTIVE DYE PILOT MAN-NEN HITSU KABUSHIKI KAISHA (JP) 1984-09-11 US disclosed
EP-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP disclosed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US disclosed
US-4376687-A ELECTRODEPOSITION OF CATIONIC POLYMERS BASED ON AN AMINE-CONTAINING UNSATURATED CARBO COMPOUND, AN ACRYLIC ACID OR ESTER, AN AMINE-CONTAINING HYDROXY COMPOUND, A BLOCKED ISOLYANATE, AND ACID; AUTO COATINGS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-03-15 US disclosed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP disclosed