SCHEMBL16403981

SCHEMBL16403981

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ RECQL P46063 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NPC1 O15118 5/20 0.40
▸ PKM P14618 1/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ KDM4A O75164 1/20 0.37
▸ KDM4B O94953 1/20 0.37
▸ KDM5C P41229 1/20 0.37

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
SCHEMBL14224988 0.87 RAB9A (0.41) RAB9AKDM4EGAAPOLBHTT
SCHEMBL16404071 0.85 RAB9A (0.40) RAB9AKDM4EGAAPOLBHTT
SCHEMBL16403920 0.85 ALDH1A1 (0.38) RAB9AKDM4EGAAPOLBHTT
SCHEMBL14224958 0.85 ALDH1A1 (0.43) RAB9AKDM4EGAAPOLBHTT
SCHEMBL16404113 0.83 CCNC (0.55) RAB9AKDM4EGAAPOLBHTT
SCHEMBL14224974 0.83 ALDH1A1 (0.39) RAB9AKDM4EGAAPOLBHTT
SCHEMBL16404150 0.82 RAB9A (0.42) RAB9AKDM4EGAAPOLBHTT
SCHEMBL16404062 0.82 NPC1 (0.54) RAB9AKDM4EPOLBALDH1A1HPGD
SCHEMBL16403980 0.81 KDM4E (0.44) RAB9AKDM4EGAAPOLBHTT
SCHEMBL14325805 0.81 RAB9A (0.39) RAB9AKDM4EGAAPOLBHTT

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
Send feedback