SCHEMBL7274553

SCHEMBL7274553

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.57
ITGA2B P08514 10/20 0.57
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NQO2 P16083 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ST14 Q9Y5Y6 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
SCHEMBL7284791 1.00 ITGB3 (0.57) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7272581 0.88 ITGB3 (0.56) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7281007 0.88 ITGB3 (0.56) ITGB3ITGA2BCA12CA1CA2
Hydrochloric Acid SCHEMBL7275280 0.86 ITGB3 (0.42) ITGB3ITGA2BCA12CA1CA2
Hydrochloric Acid SCHEMBL7274067 0.86 ITGB3 (0.42) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7281934 0.79 ITGB3 (0.58) ITGB3ITGA2BNQO2F2F10
SCHEMBL7276107 0.78 ITGB3 (0.67) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9254812 0.78 ITGB3 (0.57) ITGB3ITGA2BNQO2F2F10
SCHEMBL9254628 0.78 ITGB3 (0.57) ITGB3ITGA2BNQO2F2F10
Hydrochloric Acid SCHEMBL7274050 0.78 ITGB3 (0.57) ITGB3ITGA2BNQO2F2F10

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 3 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
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP 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