SCHEMBL7669581

SCHEMBL7669581

CCCC(=O)Nc1sc(C(=O)c2cccs2)c(C)c1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
HSD17B10 Q99714 3/20 0.62
ALDH1A1 P00352 11/20 0.56
POLB P06746 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 6/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
MAPK10 P53779 1/20 0.56
NPC1 O15118 3/20 0.52
GAA P10253 2/20 0.52
AIP O00170 1/20 0.47
SGTA O43765 1/20 0.47
TOMM70 O94826 1/20 0.47
STIP1 P31948 1/20 0.47
PPP5C P53041 1/20 0.47
FKBP4 Q02790 1/20 0.47
PPID Q08752 1/20 0.47

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
SCHEMBL7003174 0.77 ALDH1A1 (0.72) MAPTHSD17B10ALDH1A1POLBMEN1
SCHEMBL1862342 0.70 ALDH1A1 (0.72) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL27075492 0.67 HSD17B10 (0.67) MAPTHSD17B10ALDH1A1POLBMEN1
SCHEMBL6464495 0.66 ADORA2A (0.56) MAPTHSD17B10ALDH1A1POLBMEN1
SCHEMBL6317632 0.65 ADORA2A (0.53) MAPTHSD17B10ALDH1A1POLBMEN1
SCHEMBL6412764 0.64 LMNA (0.61) HSD17B10ALDH1A1POLBMEN1KMT2A
SCHEMBL3177576 0.63 LMNA (0.77) HSD17B10ALDH1A1POLBMEN1KMT2A
SCHEMBL3869753 0.63 MAPT (0.52) MAPTHSD17B10ALDH1A1POLBMEN1
SCHEMBL7003055 0.63 AIP (0.74) MAPTHSD17B10ALDH1A1POLBMEN1
Diethylamine SCHEMBL27851494 0.63 GAA (0.49) MAPTHSD17B10ALDH1A1POLBMEN1

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-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed