SCHEMBL3823942

SCHEMBL3823942

C=Cc1ccc(COCN)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 6/20 0.31
HDAC8 Q9BY41 1/20 0.31
AGXT P21549 3/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CYP3A4 P08684 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL5066935 0.87 ALDH1A1 (0.55) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL3823685 0.84 ALDH1A1 (0.42) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL18832287 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL18868385 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL15958340 0.82 TBXAS1 (0.35) ALDH1A1CA2CA9
SCHEMBL17538183 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL12392403 0.81 ALDH1A1 (0.39) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL21911247 0.81 ALDH1A1 (0.39) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL17075233 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL1140820 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205499-B1 Unsaturated nitrile-conjugated diene rubber composition and production process thereof JSR CORP (JP) 2009-09-09 EP disclosed
EP-1205506-B1 Rubber composition and methods for producing the same JSR CORP (JP) 2004-12-29 EP disclosed
US-6740700-B2 KNEADING FORMULATION COMPRISING A RUBBER COMPONENT CONTAINING CONJUGATED DIENE-BASED RUBBER AND A SILICA; KNEADING SILANE COUPLING AGENT AND FIRST RUBBER, KNEADING SECOND RUBBER FORMULATION, ZINC OXIDE AND VULCANIZING AGENT JSR CORPORATION (JP) 2004-05-25 US disclosed
US-6699935-B2 A CROSSLINKED RUBBER PARTICLES CONTAINING CONJUGATED DIENE MONOMER, AROMATIC VINYL MONOMER AND MONOMER WITH AT LEAST TWO POLYMERIZABLE UNSATURATED GROUPS DISPERSED IN A CONJUGATED DIENE/AROMATIC VINYL COPOLYMER; RESIST TO ROLLING, SKID, WEAR JSR CORPORATION (JP) 2004-03-02 US disclosed
US-20030125467-A1 A crosslinked rubber particles containing conjugated diene monomer, aromatic vinyl monomer and monomer with at least two polymerizable unsaturated groups dispersed in a conjugated diene/aromatic vinyl copolymer; resist to rolling, skid, wear JSR CORPORATION (JP) 2003-07-03 US disclosed
US-6498223-B2 VULCANIZED RUBBER OBTAINED HAS HIGH OIL RESISTANCE FOR USE AS OIL, FUEL GAS AND BRAKE HOSES JSR CORPORATION (JP) 2002-12-24 US disclosed
US-20020091189-A1 Unsaturated nitrile-conjugated diene-typed rubber, rubber composition and process for the productions of the same JSR CORPORATION (JP) 2002-07-11 US disclosed
US-20020082334-A1 Rubber composition and methods for producing the same JSR CORPORATION (JP) 2002-06-27 US disclosed
EP-1205499-A2 Unsaturated nitrile-conjugated diene rubber composition and production process of the rubber JSR Corporation (JP) 2002-05-15 EP disclosed
EP-1205506-A2 Rubber composition and methods for producing the same JSR Corporation (JP) 2002-05-15 EP disclosed