SCHEMBL12075201

SCHEMBL12075201

Bc1nc2cc[nH]c(=O)c2s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
PDPK1 O15530 4/20 0.33
PARP1 P09874 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
JAK2 O60674 1/20 0.30
RPS6KA3 P51812 1/20 0.30
MELK Q14680 1/20 0.30
STK24 Q9Y6E0 1/20 0.30

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
SCHEMBL4402264 0.79 RAB9A (0.41) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2580463 0.79 NPC1 (0.40) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18857267 0.74 PDPK1 (0.43) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18237571 0.74 TLR8 (0.37) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28561318 0.73 SMN1; SMN2 (0.47) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12154294 0.70 RAB9A (0.43) NPC1RAB9ASMN1; SMN2MAPTPARP1
SCHEMBL792405 0.69 TYK2 (0.45) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23996116 0.68 PDPK1 (0.35) SCDPDPK1PARP1
SCHEMBL793351 0.65 TYK2 (0.47) SCDJAK2
SCHEMBL2439614 0.64 PARP1 (0.34) SCDNPC1RAB9ASMN1; SMN2MAPT

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
EP-2089397-B1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-08-29 EP disclosed