SCHEMBL7285116

SCHEMBL7285116

CSc1cc(-c2ccc(C#N)cc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.50
KIF11 P52732 3/20 0.42
EGLN1 Q9GZT9 2/20 0.41
FLT1 P17948 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 4/20 0.40
CA1 P00915 1/20 0.40
MEN1 O00255 2/20 0.39
AR P10275 3/20 0.39
MAP4K4 O95819 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MMP2 P08253 1/20 0.37
ESR1 P03372 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
SCHEMBL3642709 0.85 KMT2A (0.48) MMP3CA12CA2CA9CA3
SCHEMBL24244918 0.80 ALOX5 (0.56) KMT2AMEN1ESR1ESR2
SCHEMBL7274342 0.79 MAP4K4 (0.45) MMP3KIF11CA12CA2CA9
SCHEMBL7272350 0.77 ACLY (0.47) MMP3KIF11AR
SCHEMBL2786046 0.77 AR (0.57) MMP3KIF11CA12CA2CA9
SCHEMBL7276752 0.73 MMP3 (0.55) MMP3KIF11CA12CA2CA9
SCHEMBL2786052 0.73 KIF11 (0.59) MMP3KIF11CA12CA2CA9
SCHEMBL7222655 0.73 ESR2 (0.60) MMP3CA12CA2CA9CA3
SCHEMBL2785702 0.73 MMP3 (0.55) MMP3KIF11EGLN1FLT1EGLN3
SCHEMBL26936685 0.73 MMP3 (0.55) MMP3KIF11EGLN1FLT1EGLN3

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