SCHEMBL6742709

SCHEMBL6742709

COc1ccc(C=O)cc1-c1ccsc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 1/20 0.53
ERN1 O75460 1/20 0.51
AOX1 Q06278 1/20 0.49
FDPS P14324 1/20 0.46
TRIM24 O15164 1/20 0.45
HPGD P15428 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
PELI1 Q96FA3 1/20 0.43
TTR P02766 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ALDH1A3 P47895 1/20 0.39
MAPT P10636 3/20 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
SCHEMBL3924648 0.78 ERN1 (0.56) ALDH1A1TSHRERN1AOX1FDPS
SCHEMBL5991073 0.78 CYP2A6 (0.47) ALDH1A1ERN1PDGFRBPDGFRAMAOB
SCHEMBL8503242 0.78 MAOB (0.52) ALDH1A1ERN1HPGDPDGFRBPDGFRA
SCHEMBL3926144 0.78 TTR (0.59) ALDH1A1TSHRERN1AOX1FDPS
SCHEMBL3920365 0.78 ALDH1A1 (0.70) ALDH1A1TSHRERN1AOX1FDPS
SCHEMBL3920869 0.76 ALDH1A1 (0.58) ALDH1A1TSHRERN1AOX1FDPS
SCHEMBL4446297 0.76 TUBB4A (0.47) ERN1PDGFRBPDGFRAMAOBMAOA
SCHEMBL16711689 0.76 ALDH1A1 (0.58) ALDH1A1TSHRERN1AOX1FDPS
SCHEMBL5842591 0.76 IMPDH2 (0.48) ALDH1A1TSHRERN1PDGFRBPDGFRA
SCHEMBL3924578 0.75 ALDH1A1 (0.56) ALDH1A1TSHRERN1AOX1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed