SCHEMBL1128345

SCHEMBL1128345

O=[N+]([O-])c1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
HPRT1 P00492 1/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
HNF4A P41235 1/20 0.35
CASP6 P55212 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.33
GSR P00390 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32

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
SCHEMBL638537 0.83 ALDH1A1 (0.38) CYP3A4HPRT1MEN1KMT2ARAB9A
SCHEMBL6416195 0.76 HPRT1 (0.50) CYP3A4HPRT1MEN1KMT2ARAB9A
SCHEMBL6419102 0.72 MEN1 (0.37) CYP3A4HPRT1MEN1KMT2ANPC1
SCHEMBL645287 0.72 CYP3A4 (0.42) CYP3A4HPRT1MEN1KMT2ARAB9A
SCHEMBL15366386 0.69 ALDH1A1 (0.40) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL5777939 0.68 ALDH1A1 (0.47) CYP3A4HPRT1MEN1KMT2AALDH1A1
SCHEMBL195377 0.68 ALDH1A1 (0.36) CYP3A4MEN1KMT2AALDH1A1TSHR
Anthracene SCHEMBL27535343 0.68 ALDH1A1 (0.61) CYP3A4HPRT1MEN1KMT2ARAB9A
SCHEMBL1127747 0.67 CYP2A6 (0.43) CYP3A4ALDH1A1TDP1MAPT
SCHEMBL1128294 0.67 CYP1A2 (0.43) CYP3A4MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0917529-A4 CATALYST COMPOSITIONS AND PROCESSES FOR OLEFIN OLIGOMERIZATION AND POLYMERIZATION CRYOVAC INC (US) 2002-10-02 EP claimed
EP-0917529-A1 CATALYST COMPOSITIONS AND PROCESSES FOR OLEFIN OLIGOMERIZATION AND POLYMERIZATION Cryovac, Inc. (US) 1999-05-26 EP claimed
WO-1998042665-A1 CATALYST COMPOSITIONS AND PROCESSES FOR OLEFIN OLIGOMERIZATION AND POLYMERIZATION CRYOVAC, INC. (US) 1998-10-01 WO claimed
US-4224071-A Black dyes for ball-point pen inks AMERICAN CYANAMID COMPANY (US) 1980-09-23 US claimed
US-20240045330-A1 NEGATIVE PHOTOSENSITIVE COMPOSITION AND PATTERN FORMATION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2024-02-08 US disclosed
CN-117420731-A Negative photosensitive composition and pattern forming method 东京应化工业株式会社 2024-01-19 CN disclosed
US-20230236505-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMATION METHOD, AND LAMINATED FILM SAN-APRO LTD. (JP) 2023-07-27 US disclosed
EP-3909943-A1 SULFONIUM SALT, PHOTOACID GENERATOR, CURABLE COMPOSITION AND RESIST COMPOSITION San-Apro Ltd. (JP) 2021-11-17 EP disclosed
CN-113286781-A Sulfonium salt, photoacid generator, curable composition, and resist composition 三亚普罗股份有限公司 2021-08-20 CN disclosed
WO-2020145043-A1 SULFONIUM SALT, PHOTOACID GENERATOR, CURABLE COMPOSITION AND RESIST COMPOSITION サンアプロ株式会社 2020-07-16 WO disclosed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
US-4197120-A ELECTRICALLY PHOTOSENSITIVE PARTICLES CONTAINING COLORANT HAVING ABSORPTION MAXIMUM GREATER THAN 410 NANOMETERS EASTMAN KODAK COMPANY (US) 1980-04-08 US disclosed
US-RE30235-E FOR ELECTROPHORETIC MIGRATION IMAGING PROCESSES EASTMAN KODAK COMPANY (US) 1980-03-18 US disclosed
US-4175961-A DISPERSION OF A POLYMER HAVING ALKYLIDENE DIARYLENE GROUPS, A PYRYLIUM-TYPE DYE SALT, AND A BIS(N,N-DISUBSTITUTED ANILINE DERIVATIVE AS A SENSITIZER EASTMAN KODAK COMPANY (US) 1979-11-27 US disclosed
US-4127412-A BIS(AMINOARYL)ALKANES EASTMAN KODAK COMPANY (US) 1978-11-28 US disclosed
US-4111693-A PYRYLIUM TYPE DYE SALT EASTMAN KODAK COMPANY (US) 1978-09-05 US disclosed
US-4092162-A Nitrogen containing polymers aelements EASTMAN KODAK COMPANY (US) 1978-05-30 US disclosed
US-4025341-A CONDENSATION POLYMER OF A TERTIARY AROMATIC AMINE, A SENSITIZER, AND A CARBONYL COMPOUND EASTMAN KODAK COMPANY (US) 1977-05-24 US disclosed
US-4012376-A Photosensitive colorant materials EASTMAN KODAK COMPANY (US) 1977-03-15 US disclosed