SCHEMBL8680457

SCHEMBL8680457

CC(=O)N1CCc2sc([N+](=O)[O-])cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 1/20 0.45
NOTUM Q6P988 1/20 0.44
HDAC6 Q9UBN7 3/20 0.42
BAZ2B Q9UIF8 1/20 0.41
PNMT P11086 2/20 0.41
MCHR1 Q99705 1/20 0.39
HPGD P15428 2/20 0.39
CASP6 P55212 2/20 0.38
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14875598 0.83 ESR2 (0.51) ALDH1A1MAPTHTTHDAC6PNMT
SCHEMBL3555661 0.78 NOTUM (0.47) ALDH1A1MAPTNOTUMHDAC6BAZ2B
SCHEMBL21411146 0.77 HDAC6 (0.49) ALDH1A1NOTUMHDAC6BAZ2BMCHR1
SCHEMBL8919325 0.71 HTR1A (0.43) ALDH1A1NOTUMHDAC6BAZ2BMCHR1
SCHEMBL8916613 0.71 NOTUM (0.43) ALDH1A1MAPTNOTUMHDAC6BAZ2B
SCHEMBL5599548 0.70 NOTUM (0.56) ALDH1A1MAPTHTTNOTUMBAZ2B
SCHEMBL30561538 0.70 NOTUM (0.56) ALDH1A1MAPTHTTNOTUMBAZ2B
SCHEMBL3895337 0.70 NOTUM (0.56) ALDH1A1MAPTHTTNOTUMBAZ2B
SCHEMBL17385378 0.70 PRKDC (0.45) ALDH1A1MAPTNOTUMHDAC6MCHR1
SCHEMBL17197463 0.69 NOTUM (0.55) ALDH1A1MAPTHTTNOTUMBAZ2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542411-B1 TETRAHYDROTHIENOPYRIDINE DERIVATIVES, FURO AND PYRROLO ANALOGS THEREOF AND THEIR PREPARATION AND USES FOR INHIBITING BLOOD PLATELET AGGREGATION SANKYO CO (JP) 1998-08-12 EP disclosed
US-5436242-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation SANKYO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 EP disclosed