SCHEMBL4751608

SCHEMBL4751608

CCOC(=O)N1CC(=O)c2ccsc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
MDM2 Q00987 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.40
BRD4 O60885 2/20 0.40

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
SCHEMBL985894 0.87 NOS3 (0.44) MAPTALDH1A1NPSR1MEN1MAPK1
SCHEMBL1425864 0.87 KDM4E (0.46) MAPTALDH1A1NPSR1MEN1MAPK1
SCHEMBL1425950 0.76 HTR2C (0.38) MAPTALDH1A1MEN1KMT2ANOS3
SCHEMBL3003136 0.73 NOS3 (0.46) MAPTALDH1A1NPSR1MEN1RAB9A
SCHEMBL4440748 0.73 NOS3 (0.35) MAPTALDH1A1MEN1MAPK1RAB9A
SCHEMBL985531 0.73 PIN1 (0.41) MAPTALDH1A1NPSR1MEN1RAB9A
SCHEMBL2840999 0.72 KMT2A (0.43) MAPTALDH1A1NPSR1MEN1MAPK1
SCHEMBL2383675 0.72 HSD17B10 (0.36) MAPTALDH1A1NPSR1MEN1MAPK1
SCHEMBL22231063 0.72 KMT2A (0.43) MAPTALDH1A1NPSR1MEN1MAPK1
SCHEMBL1182615 0.72 SMN1; SMN2 (0.42) MAPTALDH1A1NPSR1MEN1MAPK1

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-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed