SCHEMBL7274446

SCHEMBL7274446

CC(=O)c1ccc2c(c1)CC(C#N)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HSD17B1 P14061 1/20 0.45
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
KCNJ1 P48048 2/20 0.38
PGR P06401 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL18165458 0.88 CYP1A2 (0.47) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL3724986 0.79 MAPT (0.58) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL17513830 0.79 MAPT (0.58) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL4959346 0.77 MAPT (0.56) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL20444064 0.77 MAPT (0.56) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL20444101 0.77 MAPT (0.56) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL7284288 0.76 MAPT (0.43) MAPTPOLBCA2
Hydrochloric Acid SCHEMBL31051373 0.76 MAPT (0.55) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL10887975 0.75 NPC1 (0.53) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL26805001 0.75 MAPT (0.53) MAPTNPC1RAB9AHSD17B1HPGD

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed