SCHEMBL13746169

SCHEMBL13746169

O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CC2CCCC(C2)C1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.66
▸ MEN1 O00255 8/20 0.62
▸ KMT2A Q03164 8/20 0.62
▸ GPR55 Q9Y2T6 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ MAPT P10636 7/20 0.60
▸ POLB P06746 5/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ LMNA P02545 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ NCOA1 Q15788 1/20 0.59
▸ NCOA3 Q9Y6Q9 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58

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
SCHEMBL12008894 0.91 FFAR1 (0.71) FFAR1MEN1KMT2AGPR55NPC1
SCHEMBL12008966 0.90 FFAR1 (0.70) FFAR1MEN1KMT2AGPR55NPC1
SCHEMBL12008971 0.85 KMT2A (0.65) FFAR1MEN1KMT2ANPC1MAPT
SCHEMBL12008925 0.84 POLB (0.73) FFAR1MEN1KMT2AGPR55NPC1
SCHEMBL12008980 0.84 KMT2A (0.66) FFAR1MEN1KMT2ANPC1MAPT
SCHEMBL12008920 0.83 FFAR1 (0.64) FFAR1MEN1KMT2AGPR55NPC1
SCHEMBL18539174 0.81 NPC1 (0.57) FFAR1MEN1KMT2AGPR55NPC1
SCHEMBL12006896 0.80 FFAR1 (1.00) FFAR1MEN1KMT2AGPR55NPC1
SCHEMBL12008850 0.79 MEN1 (0.68) FFAR1MEN1KMT2AGPR55NPC1
SCHEMBL12008926 0.79 KMT2A (0.75) FFAR1MEN1KMT2ANPC1MAPT

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
WO-2009097113-A2 OXAZOLE AND THIAZOLE COMPOUNDS AS B-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2009-08-06 — — WO disclosed
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