SCHEMBL3454071

SCHEMBL3454071

Cc1nc(I)sc1C(=O)NCCOc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.45
PPARA Q07869 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
SCD O00767 2/20 0.44
HCRTR1 O43613 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL3454100 0.88 RAB9A (0.57) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL3454417 0.82 SCD (0.59) RAB9AALDH1A1NPC1MAPTPPARA
SCHEMBL3454764 0.80 SCD (0.44) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL3454547 0.79 SCD (0.57) KMT2AL3MBTL1MAPTPPARASMN1; SMN2
SCHEMBL3454066 0.77 PPARA (0.46) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL13541845 0.73 PPARA (0.60) ALDH1A1L3MBTL1KDM4EPPARASMN1; SMN2
SCHEMBL4449627 0.72 RAB9A (0.64) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL3446997 0.72 SMN1; SMN2 (0.55) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL9632340 0.71 LTA4H (0.55) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL13541863 0.71 ALDH1A1 (0.58) ALDH1A1NPC1KMT2AKDM4ELMNA

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