SCHEMBL7281007

SCHEMBL7281007

N=C(N)c1ccc(-c2cn(-c3ccc(CCC(=O)O)cc3)c(=S)[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.56
ITGA2B P08514 7/20 0.56
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 4/20 0.45
GAA P10253 2/20 0.45
GFER P55789 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
ALOX12 P18054 1/20 0.43
NPC1 O15118 2/20 0.41
NQO2 P16083 1/20 0.40
MCL1 Q07820 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
SCHEMBL7272581 1.00 ITGB3 (0.56) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL7284791 0.88 ITGB3 (0.57) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7274553 0.88 ITGB3 (0.57) ITGB3ITGA2BCA12CA1CA2
Hydrochloric Acid SCHEMBL8604167 0.87 KMT2A (0.53) ITGB3ITGA2BMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL8575464 0.87 KMT2A (0.53) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL7281830 0.79 ITGB3 (0.57) ITGB3ITGA2BNQO2
SCHEMBL7281612 0.79 ITGB3 (0.57) ITGB3ITGA2BNQO2
SCHEMBL7281852 0.77 ITGB3 (0.54) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL7272952 0.77 ITGB3 (0.54) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL7275589 0.76 NQO2 (0.44) ITGB3ITGA2BMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed