SCHEMBL6161856

SCHEMBL6161856

CCc1cccc(NCCC#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
THRB P10828 1/20 0.50
GAA P10253 3/20 0.47
ALDH1A1 P00352 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.44
ICMT O60725 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL11252585 0.84 HTT (0.61) HTTTHRBGAAALDH1A1ICMT
SCHEMBL10990076 0.80 RAPGEF4 (0.50) HTTGAAALDH1A1RAPGEF4ICMT
SCHEMBL10624792 0.79 MAPT (0.69) HTTTHRBGAAALDH1A1ICMT
SCHEMBL11222691 0.79 HTT (0.53) HTTTHRBGAAALDH1A1MAPT
SCHEMBL11130650 0.78 HTT (0.51) HTTTHRBGAAALDH1A1MAPT
SCHEMBL9316519 0.77 SYK (0.50) HTTRAPGEF4ICMTMAPTCYP1A2
SCHEMBL21257474 0.77 MAPT (0.50) HTTGAAALDH1A1RAPGEF4ICMT
SCHEMBL18461175 0.77 RAPGEF4 (0.47) HTTGAAALDH1A1RAPGEF4ICMT
SCHEMBL10684601 0.77 RAPGEF4 (0.47) HTTGAAALDH1A1RAPGEF4ICMT
SCHEMBL28044646 0.77 RAPGEF4 (0.47) HTTALDH1A1RAPGEF4ICMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
EP-1210335-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 EP disclosed
WO-2001014342-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed