SCHEMBL6617665

SCHEMBL6617665

CC(C)NC(=O)n1nc(-c2cc(NC(=O)C(C)C)ccc2O)cc1C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ GLA P06280 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ 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
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ HSD17B10 Q99714 2/20 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
SCHEMBL6616415 0.98 HTT (0.38) KMT2AKDM4EALDH1A1GLARECQL
SCHEMBL6616543 0.94 KMT2A (0.42) KMT2AKDM4EALDH1A1GLARECQL
SCHEMBL6618835 0.90 KMT2A (0.37) KMT2AKDM4EALDH1A1GLARECQL
SCHEMBL6616769 0.90 KDM4E (0.37) KMT2AKDM4EALDH1A1GLARECQL
SCHEMBL6617588 0.89 KDM5A (0.42) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL6617181 0.88 KDM4E (0.37) KMT2AKDM4EALDH1A1GLARECQL
SCHEMBL6618662 0.88 KMT2A (0.38) KMT2AKDM4EALDH1A1GLANPC1
SCHEMBL6614887 0.86 NAMPT (0.38) KMT2AKDM4EALDH1A1GLARECQL
SCHEMBL6620091 0.86 KMT2A (0.35) KMT2AKDM4EALDH1A1GLARECQL
SCHEMBL6615986 0.85 KMT2A (0.40) KMT2AHTTMEN1LMNA

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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