SCHEMBL8468841

SCHEMBL8468841

COc1ccc(-c2c3c(cc4ccccc24)CNC3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDR P35968 5/20 0.46
AURKA O14965 3/20 0.45
PLK4 O00444 2/20 0.45
NUAK1 O60285 2/20 0.45
FLT4 P35916 2/20 0.45
FLT3 P36888 2/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
AURKB Q96GD4 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
PIK3CD O00329 1/20 0.44
XRCC6 P12956 1/20 0.44
XRCC5 P13010 1/20 0.44

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
SCHEMBL8466568 0.82 KDR (0.44) ALOX5KDRAURKAPLK4NUAK1
SCHEMBL8469010 0.80 MAPT (0.45) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL26506265 0.79 ABCG2 (0.47) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL29847407 0.75 ALOX5 (0.58) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL18762062 0.75 ALOX5 (0.58) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL12873375 0.71 ALOX5 (0.55) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL18270053 0.71 GPR84 (0.51) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL27712556 0.70 ALOX5 (0.53) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9612396 0.70 ALOX5 (0.49) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL8072870 0.69 ALOX5 (0.55) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed