SCHEMBL6618348

SCHEMBL6618348

CCCNC(=O)n1nc(-c2cc(NC(C)=O)ccc2O)cc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ KDM3A Q9Y4C1 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK14 Q16539 2/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GRM4 Q14833 1/20 0.34

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
SCHEMBL6619635 0.92 KDM5A (0.41) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6620531 0.91 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6620091 0.90 KMT2A (0.35) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6618882 0.90 ALDH1A1 (0.40) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6617307 0.88 CRACR2A (0.44) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6618849 0.87 CHRM5 (0.40) MAPTRAB9ANPC1GRM4
SCHEMBL6620646 0.87 KDM5A (0.39) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6615243 0.86 MAPK14 (0.41) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6619885 0.85 RAB9A (0.43) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL6617588 0.85 KDM5A (0.42) KDM5AKDM4DKDM4CKDM5BKDM3A

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
Send feedback