SCHEMBL6159274

SCHEMBL6159274

[NH]Cc1ccccc1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.49
KEAP1 Q14145 1/20 0.48
MAPK1 P28482 2/20 0.47
GAA P10253 3/20 0.44
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
NPC1 O15118 1/20 0.42
KCNQ2 O43526 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PLA2G1B P04054 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ALOX12 P18054 1/20 0.41
MAP2K1 Q02750 1/20 0.41

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 SCHEMBL10710768 0.82 NCF1 (0.47) NCF1KEAP1MAPK1GAAFABP3
Hydrochloric Acid SCHEMBL29156848 0.82 KEAP1 (0.52) NCF1KEAP1MAPK1GAAFABP3
Hydrochloric Acid SCHEMBL10712688 0.82 NCF1 (0.47) NCF1KEAP1MAPK1GAAFABP3
SCHEMBL8776692 0.81 NCF1 (0.54) NCF1KEAP1MAPK1GAAFABP3
SCHEMBL28053480 0.79 NCF1 (0.49) NCF1KEAP1MAPK1GAAFABP3
SCHEMBL721985 0.79 NCF1 (0.49) NCF1KEAP1MAPK1GAAFABP3
SCHEMBL6514775 0.79 KEAP1 (0.53) NCF1KEAP1MAPK1GAAFABP3
SCHEMBL111729 0.79 NCF1 (0.72) NCF1KEAP1MAPK1GAAFABP3
Nitrogen SCHEMBL4600854 0.78 NCF1 (0.51) NCF1KEAP1MAPK1GAAFABP3
SCHEMBL11305984 0.78 KEAP1 (0.52) NCF1KEAP1MAPK1GAAFABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237877-B1 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-27 EP claimed
EP-1237877-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2002-09-11 EP claimed
US-6407130-B1 ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM, GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-18 US claimed
WO-2001034572-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-17 WO claimed
EP-1237877-B1 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-27 EP disclosed
EP-1237877-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2002-09-11 EP disclosed
US-6407130-B1 ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM, GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-18 US disclosed
WO-2001034572-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-17 WO disclosed