SCHEMBL3454883

SCHEMBL3454883

Cc1nc(C#Cc2ccc(O)cc2)sc1C(=O)NCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
USP2 O75604 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.46
HPGD P15428 4/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NLRP1 Q9C000 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL3454120 0.94 MAPT (0.47) NPC1SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL3454348 0.87 SCD (0.55)
SCHEMBL13541887 0.85 MLYCD (0.43) NPC1SMN1; SMN2RAB9AUSP2L3MBTL1
SCHEMBL13541937 0.85 HPGD (0.61) NPC1SMN1; SMN2RAB9AUSP2L3MBTL1
SCHEMBL3454603 0.83 RAB9A (0.51) NPC1SMN1; SMN2RAB9AL3MBTL1TSHR
SCHEMBL3447237 0.83 SCD (0.56) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3455792 0.78 TAAR1 (0.48) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL12464577 0.78 SCD (0.51) SMN1; SMN2RAB9ATSHRHPGDPOLB
SCHEMBL12464375 0.78 HPGD (0.64) NPC1SMN1; SMN2HPGDMEN1GAA
SCHEMBL3454860 0.78 MAOB (0.52) NPC1L3MBTL1MEN1KMT2AALDH1A1

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-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO claimed