SCHEMBL7422183

SCHEMBL7422183

Cc1c(C(C)(CN(C)S(=O)(=O)CC(=O)O)C(=O)N2CCCC2)ccc2[nH]c(CNc3ccc(C(=N)N)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.41
F10 P00742 4/20 0.41
KLK1 P06870 6/20 0.39
KLK5 Q9Y337 6/20 0.39
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
PLG P00747 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31

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 SCHEMBL7448208 0.86 F2 (0.41) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7445868 0.84 KLK1 (0.40) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7416820 0.83 F2 (0.47) F2F10KLK1KLK5PRSS1
SCHEMBL7422207 0.82 NQO2 (0.38) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7450557 0.81 F2 (0.42) F2F10KLK1KLK5PRSS1
SCHEMBL6457217 0.81 F2 (0.56) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7447171 0.81 F2 (0.39) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7448447 0.81 F2 (0.56) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7451035 0.81 F2 (0.56) F2F10KLK1KLK5PRSS1
SCHEMBL7450226 0.80 F2 (0.49) F2F10KLK1KLK5PRSS1

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
EP-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP disclosed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed