SCHEMBL6616543

SCHEMBL6616543

CC(C)NC(=O)n1nc(-c2ccc(NC(=O)C(C)C)cc2O)cc1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 6/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TYR P14679 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35

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
SCHEMBL6617665 0.94 KMT2A (0.38) KMT2AKDM4ERECQLALDH1A1NPSR1
SCHEMBL6616415 0.92 HTT (0.38) KMT2AKDM4ERECQLALDH1A1NPSR1
SCHEMBL6609241 0.90 KMT2A (0.45) KMT2ANPSR1HTTMEN1LMNA
SCHEMBL6617766 0.89 KMT2A (0.40) KMT2AKDM4ERECQLALDH1A1NPSR1
SCHEMBL6614370 0.88 KMT2A (0.45) KMT2ANPSR1HTTMEN1LMNA
SCHEMBL6619722 0.88 KMT2A (0.38) KMT2AKDM4ERECQLALDH1A1NPSR1
SCHEMBL6615707 0.87 KMT2A (0.42) KMT2AKDM4ERECQLALDH1A1NPSR1
SCHEMBL6618565 0.87 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1MAPTTYR
SCHEMBL6615699 0.86 KMT2A (0.37) KMT2AKDM4ERECQLALDH1A1NPSR1
SCHEMBL6617829 0.85 ALDH1A1 (0.39) KMT2AKDM4EALDH1A1NPSR1HTT

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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