SCHEMBL7276752

SCHEMBL7276752

N#Cc1ccc(-c2ccc(O)c(Br)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.55
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CYP19A1 P11511 8/20 0.46
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
KMT2A Q03164 1/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALOX15 P16050 1/20 0.43
KIF11 P52732 3/20 0.42
HSD17B3 P37058 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
HDAC2 Q92769 1/20 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
SCHEMBL91352 0.84 MEN1 (0.58) MMP3CA12CA2CA9CYP19A1
SCHEMBL5028631 0.81 ALOX15 (0.62) MEN1KMT2AALOX15ESR1ESR2
SCHEMBL30268624 0.81 ALOX15 (0.62) MEN1KMT2AALOX15ESR1ESR2
SCHEMBL5848625 0.78 MEN1 (0.47) CA12CA2CA9CYP19A1MEN1
SCHEMBL5705421 0.78 MEN1 (0.47) CA12CA2CA9CYP19A1MEN1
SCHEMBL9622875 0.77 ALOX5 (0.62) MEN1KMT2AALOX15ESR1ESR2
SCHEMBL3339161 0.77 ALOX15 (0.65) CA12CA2CA9MEN1KMT2A
SCHEMBL2786052 0.77 KIF11 (0.59) MMP3CA12CA2CA9CYP19A1
SCHEMBL15234719 0.77 KIF11 (0.54) MMP3CA12CA2CA9CA1
SCHEMBL31603805 0.77 MMP3 (0.45) MMP3CA12CA2CA9CA1

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 7 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-5677466-A TESTING USING A AMIDINOPHENYL CONTAINING COMPOUND DR. KARL THOMAE, GMBH (DE) 1997-10-14 US 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-0567967-B1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production THOMAE GMBH DR K (DE) 1996-07-10 EP disclosed
EP-0567967-A1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production Dr. Karl Thomae GmbH (DE) 1993-11-03 EP 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