SCHEMBL6620646

SCHEMBL6620646

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ KDM3A Q9Y4C1 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CHRNE Q04844 3/20 0.35
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ SLC18A3 Q16572 1/20 0.33

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
SCHEMBL6616604 0.90 KMT2A (0.34) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6617202 0.90 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6616958 0.89 ALDH1A1 (0.39) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6619635 0.89 KDM5A (0.41) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6618348 0.87 KDM5A (0.40) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6621304 0.87 CRACR2A (0.45) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6604908 0.85 GAA (0.38) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL6608027 0.85 KMT2A (0.39) RAB9AMEN1KMT2ACYP2D6CYP2C9
SCHEMBL6615827 0.85 RAB9A (0.38) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6616989 0.85 MAPT (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT

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