SCHEMBL6614887

SCHEMBL6614887

CC(C)C(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NC3CC3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ GLA P06280 1/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP6 Q9GZR1 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
SCHEMBL6618835 0.96 KMT2A (0.37) NAMPTKMT2AKDM4EALDH1A1GLA
SCHEMBL6616415 0.86 HTT (0.38) KMT2AKDM4EALDH1A1GLANPC1
SCHEMBL6617665 0.86 KMT2A (0.38) KMT2AKDM4EALDH1A1GLANPC1
SCHEMBL6616172 0.86 KMT2A (0.40) KMT2ASMN1; SMN2NPSR1MEN1LMNA
SCHEMBL6618662 0.86 KMT2A (0.38) NAMPTKMT2AKDM4EALDH1A1GLA
SCHEMBL6617181 0.84 KDM4E (0.37) KMT2AKDM4EALDH1A1GLANPC1
SCHEMBL6616769 0.84 KDM4E (0.37) KMT2AKDM4EALDH1A1GLANPC1
SCHEMBL6620091 0.82 KMT2A (0.35) KMT2AKDM4EALDH1A1GLANPC1
SCHEMBL6616711 0.82 NPC1 (0.40) KMT2AALDH1A1NPC1RAB9ACASP3
SCHEMBL6617195 0.82 ACKR3 (0.41) KMT2AKDM4ENPC1RAB9ASMN1; SMN2

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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