SCHEMBL7245229

SCHEMBL7245229

CCc1cccc(N(CCC#N)C(=O)c2ccc3c(c2)nc(CCc2ccc(C#N)cc2)n3C)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.53
ITK Q08881 2/20 0.42
TXK P42681 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL7245646 0.91 F2 (0.63) F2ITKTXKHDAC6HDAC1
SCHEMBL7245893 0.88 F2 (0.53) F2ITKTXKHDAC6HDAC1
SCHEMBL7248824 0.87 F2 (0.54) F2ITKHDAC6HDAC1HDAC8
SCHEMBL7249743 0.86 F2 (0.53) F2ITKHDAC6
SCHEMBL7244700 0.84 F2 (0.48) F2ITKHDAC6HDAC1HDAC8
SCHEMBL7245210 0.84 F2 (0.51) F2ITKHDAC6HDAC1HDAC8
SCHEMBL7244643 0.83 F2 (0.50) F2HDAC6HDAC1HDAC8
SCHEMBL7246953 0.82 F2 (0.46) F2ITKHDAC1HDAC8
SCHEMBL6781239 0.82 F2 (0.57) F2ITKTXKHDAC6HDAC1
SCHEMBL7249236 0.81 F2 (0.67) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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