SCHEMBL6620091

SCHEMBL6620091

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SENP7 Q9BQF6 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
SCHEMBL6617181 0.93 KDM4E (0.37) KMT2AKDM4EALDH1A1MEN1GLA
SCHEMBL6619722 0.93 KMT2A (0.38) KMT2AKDM4EALDH1A1MEN1GLA
SCHEMBL6616769 0.91 KDM4E (0.37) KMT2AKDM4EALDH1A1MEN1GLA
SCHEMBL6618348 0.90 KDM5A (0.40) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL6603917 0.89 CHRNA7 (0.36) KMT2AKDM4EALDH1A1MEN1NPC1
SCHEMBL6620531 0.88 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10GRM4
SCHEMBL6603375 0.88 KMT2A (0.41) KMT2AALDH1A1MEN1HTTCYP2D6
SCHEMBL6616415 0.88 HTT (0.38) KMT2AKDM4EALDH1A1MEN1GLA
SCHEMBL6616604 0.88 KMT2A (0.34) KMT2AKDM4EALDH1A1MEN1GLA
SCHEMBL6618882 0.87 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1MEN1HPGD

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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