SCHEMBL6620081

SCHEMBL6620081

CCCn1nc(-c2ccc(NC(=O)C(C)C)cc2O)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL6617931 0.94 KDM4E (0.39) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6613783 0.90 KDM4E (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6616193 0.86 KMT2A (0.41) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6631790 0.83 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6615707 0.82 KMT2A (0.42) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6615112 0.81 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6618542 0.80 KMT2A (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6619722 0.79 KMT2A (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6616287 0.78 KDM5A (0.43) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6616753 0.78 KDM5A (0.43) KMT2AKDM4EALDH1A1HPGDHSD17B10

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-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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