SCHEMBL8026562

SCHEMBL8026562

Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(NS(=O)(=O)CC3CCCC3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.67
▸ F10 P00742 6/20 0.46
▸ PRSS1 P07477 3/20 0.46
▸ PRSS2 P07478 3/20 0.46
▸ PRSS3 P35030 3/20 0.46
▸ PLG P00747 4/20 0.45
▸ KLK1 P06870 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43

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 SCHEMBL8028460 0.99 F2 (0.66) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8027015 0.98 F2 (0.65) F2F10PRSS1PRSS2PRSS3
SCHEMBL6638105 0.90 F2 (0.57) F2F10PRSS1PRSS2PRSS3
SCHEMBL6633749 0.86 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL8029893 0.84 F2 (0.46) F2
SCHEMBL8027045 0.83 F2 (0.45) F2
Hydrochloric Acid SCHEMBL8029612 0.82 F2 (0.77) F2F10PRSS1PRSS2PRSS3
SCHEMBL8166575 0.80 F2 (1.00) F2KLK1KLK5
Hydrochloric Acid SCHEMBL8016790 0.79 F2 (0.98) F2KLK1KLK5
Hydrochloric Acid SCHEMBL8016175 0.78 F2 (0.73) F2KLK1KLK5

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 — — US claimed
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 — — EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 — — US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 — — WO disclosed
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