SCHEMBL7280479

SCHEMBL7280479

N=C(N)Nc1cccc(-c2ccc(C(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
ITGB3 P05106 8/20 0.40
ITGA2B P08514 8/20 0.40
ITGAV P06756 2/20 0.40
MAPK14 Q16539 1/20 0.38
HDAC1 Q13547 2/20 0.37
SENP1 Q9P0U3 3/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
PTGIR P43119 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
SCHEMBL7274585 0.95 ITGB3 (0.42) F10ITGB3ITGA2BITGAVSENP1
Hydrochloric Acid SCHEMBL7272974 0.89 F10 (0.51) F10ITGB3ITGA2BITGAV
SCHEMBL7284946 0.88 F10 (0.48) F10ITGB3ITGA2BITGAV
SCHEMBL7283245 0.87 DRD2 (0.43) F10HDAC1
Water SCHEMBL7273367 0.87 F10 (0.45) F10ITGB3ITGA2BITGAV
SCHEMBL7283072 0.84 ITGB3 (0.37) F10ITGB3ITGA2BITGAVPTGIR
SCHEMBL7274068 0.84 KDM1A (0.42) F10ITGB3ITGA2B
SCHEMBL7276505 0.84 F2 (0.41) ITGB3ITGA2BHDAC1
Hydrochloric Acid SCHEMBL8882502 0.84 ITGB3 (0.37) F10ITGB3ITGA2BITGAVPTGIR
Hydrochloric Acid SCHEMBL7282224 0.84 PARP1 (0.39) ITGB3ITGA2BITGAVTPSAB1TPSD1

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