SCHEMBL8988669

SCHEMBL8988669

COC(=O)C[S+]([O-])c1ccc(C2=C(OC)CN(c3ccc(C(=N)N)cc3)C2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.34
ITGA2B P08514 13/20 0.34
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
NQO2 P16083 1/20 0.31
F9 P00740 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30

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
Hydrochloric Acid SCHEMBL8988543 0.91 ITGB3 (0.35) ITGB3ITGA2BPTGS1PTGS2NQO2
SCHEMBL8988689 0.82 ITGB3 (0.43) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL9564726 0.81 PTGS1 (0.38) ITGB3ITGA2BPTGS1PTGS2F2
Hydrochloric Acid SCHEMBL8988496 0.81 ITGB3 (0.43) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL8988502 0.81 ITGB3 (0.43) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL8988627 0.81 PRSS1 (0.35) ITGB3ITGA2BKLK1KLK5F9
Hydrochloric Acid SCHEMBL8988774 0.81 ITGB3 (0.44) ITGB3ITGA2BNQO2PRSS1
SCHEMBL7283268 0.81 F10 (0.45) ITGB3ITGA2BF9F2F10
Hydrochloric Acid SCHEMBL8988522 0.80 ITGB3 (0.34) ITGB3ITGA2BKLK1KLK5NQO2
Hydrochloric Acid SCHEMBL9564710 0.80 ITGB3 (0.34) ITGB3ITGA2BNQO2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed