SCHEMBL7424644

SCHEMBL7424644

Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(N(CC(=O)O)S(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.83
F10 P00742 10/20 0.53
PLG P00747 7/20 0.48
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46

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 SCHEMBL7981433 0.99 F2 (0.82) F2F10PLGPRSS1PRSS2
SCHEMBL7430218 0.92 F2 (0.71) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7433344 0.92 F2 (0.70) F2F10PLGPRSS1PRSS2
SCHEMBL8027337 0.91 F2 (1.00) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7489333 0.91 F2 (0.68) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7979427 0.90 F2 (0.70) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7424400 0.90 F2 (0.68) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL8027136 0.90 F2 (0.98) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7425435 0.87 F2 (0.66) F2F10PLGPRSS1PRSS2
SCHEMBL6633799 0.87 F2 (1.00) F2F10PLGPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US claimed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP claimed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO claimed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed