SCHEMBL6162641

SCHEMBL6162641

CCOC(=O)C(Cc1ccc(C#N)cc1)NC(=O)c1ccc2c(c1)nc(CCc1ccc(C#N)cc1)n2C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 4/20 0.45
▸ CMA1 P23946 3/20 0.44
▸ HDAC6 Q9UBN7 5/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6162892 0.87 F2 (0.53) HDAC6HDAC1F2
SCHEMBL7247845 0.82 F2 (0.44) F2BCHECNR2HTTHSD17B10
SCHEMBL6475543 0.80 KDM4E (0.48) HDAC6HDAC1KDM4ESMN1; SMN2ITK
SCHEMBL6486632 0.79 F2 (0.50) HDAC6HDAC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8032010 0.78 CNR2 (0.48) HDAC6HDAC1BCHECNR2HTT
SCHEMBL6165145 0.78 CA1 (0.47) HDAC6HDAC1BCHE
Hydrochloric Acid SCHEMBL7244675 0.78 F2 (0.49) HDAC6HDAC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7244672 0.78 F2 (0.47) HDAC6HDAC1SMN1; SMN2ITKF2
SCHEMBL7249780 0.76 F2 (0.46) F2BCHECNR2HTTHSD17B10
SCHEMBL6165313 0.76 F2 (0.58) HDAC6HDAC1F2

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-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
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