SCHEMBL6618542

SCHEMBL6618542

C=CCn1nc(-c2cc(NC(=O)C(C)C)ccc2O)cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ GLA P06280 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ AAK1 Q2M2I8 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
▸ CHRNE Q04844 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RECQL P46063 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
SCHEMBL6617913 0.96 KMT2A (0.36) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL6616193 0.94 KMT2A (0.41) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL6614347 0.89 KDM5A (0.43) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6620548 0.87 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6617931 0.86 KDM4E (0.39) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL6615310 0.85 KDM5A (0.41) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6629779 0.84 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6612239 0.84 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6613783 0.83 KDM4E (0.38) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL6615291 0.81 MAPT (0.46) KMT2AKDM4EALDH1A1HPGDHSD17B10

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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