SCHEMBL16404113

SCHEMBL16404113

Cc1nc(-c2cc(C(N)=O)n(C)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ TGFBR1 P36897 1/20 0.46
▸ RAB9A P51151 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ TRIM24 O15164 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ CASP2 P42575 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16403981 0.83 RAB9A (0.43) RAB9AGAAKDM4EPOLBHTT
SCHEMBL16403980 0.83 KDM4E (0.44) RAB9AGAAKDM4EPOLBHTT
SCHEMBL14315445 0.81 NPC1 (0.56) RAB9AKDM4EPOLBALDH1A1HPGD
SCHEMBL16403932 0.80 ALDH1A1 (0.45) RAB9AGAAKDM4EPOLBHTT
SCHEMBL16403985 0.80 RAB9A (0.41) RAB9AGAAKDM4EPOLBHTT
SCHEMBL14224988 0.79 RAB9A (0.41) RAB9AGAAKDM4EPOLBHTT
SCHEMBL16403992 0.79 RAB9A (0.60) RAB9AGAAKDM4EPOLBHTT
SCHEMBL14325854 0.79 NPC1 (0.53) RAB9AGAAKDM4EPOLBALDH1A1
SCHEMBL16403922 0.78 KDM4E (0.61) RAB9AGAAKDM4EPOLBHTT
SCHEMBL16403964 0.78 KDM4E (0.49) RAB9AGAAKDM4EPOLBHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
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