SCHEMBL11638136

SCHEMBL11638136

O=C(O)c1ccc(N2CC(=O)N(c3ccccc3)C2=S)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA9 Q16790 3/20 0.54
MEN1 O00255 1/20 0.53
CA2 P00918 2/20 0.51
SCN2A Q99250 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
DDAH1 O94760 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
DUSP22 Q9NRW4 1/20 0.45
CDK2 P24941 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARA Q07869 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1685398 0.87 KMT2A (0.56) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL11142249 0.84 CMA1 (0.59) NPC1RAB9AKMT2ACA12CA1
SCHEMBL11065342 0.81 HTT (0.53) NPC1RAB9AKMT2AMEN1CTSG
SCHEMBL11072116 0.81 KMT2A (0.49) NPC1RAB9AKMT2AMEN1CTSG
SCHEMBL1303806 0.80 CA12 (0.56) CA12CA1CA9CA2SCN2A
SCHEMBL11147745 0.79 DUSP22 (0.47) NPC1RAB9AKMT2AMEN1CTSG
SCHEMBL5955047 0.79 KMT2A (0.56) NPC1RAB9AKMT2AMEN1CTSG
SCHEMBL5955129 0.79 PLCG1 (0.55) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5955275 0.79 KMT2A (0.56) NPC1RAB9AKMT2AMEN1CTSG
SCHEMBL11071726 0.78 CTSG (0.51) NPC1RAB9AKMT2AMEN1ALDH1A1

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
US-4108667-A Photographic compositions and elements containing benzo[a]quinolizinium methine dyes EASTMAN KODAK COMPANY (US) 1978-08-22 US disclosed
US-4003750-A METHINE DYES EASTMAN KODAK COMPANY (US) 1977-01-18 US disclosed