SCHEMBL7450226

SCHEMBL7450226

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.49
F10 P00742 2/20 0.49
KLK1 P06870 5/20 0.42
KLK5 Q9Y337 5/20 0.42
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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 SCHEMBL7445570 0.99 F2 (0.48) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7440222 0.95 F2 (0.47) F2F10KLK1KLK5PRSS1
SCHEMBL6457217 0.93 F2 (0.56) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7448447 0.92 F2 (0.56) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7451035 0.92 F2 (0.56) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7451053 0.88 F2 (0.42) F2F10KLK1KLK5PRSS1
SCHEMBL7424418 0.86 F2 (0.44) F2F10KLK1KLK5PRSS1
SCHEMBL7442305 0.86 F2 (0.48) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7446389 0.86 F2 (0.44) F2F10KLK1KLK5PRSS1
Hydrochloric Acid SCHEMBL7449029 0.86 F2 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP claimed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO claimed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed