SCHEMBL7245646

SCHEMBL7245646

Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC#N)c3ccccc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.63
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 3/20 0.44
ITK Q08881 2/20 0.44
MLYCD O95822 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
POLB P06746 1/20 0.42
TXK P42681 1/20 0.42

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
SCHEMBL7249743 0.92 F2 (0.53) F2HDAC6ITK
SCHEMBL7245893 0.91 F2 (0.53) F2HDAC6HDAC1ITKHDAC8
SCHEMBL7248824 0.91 F2 (0.54) F2HDAC6HDAC1ITKHDAC8
SCHEMBL7245229 0.91 F2 (0.53) F2HDAC6HDAC1ITKHDAC8
SCHEMBL7245210 0.90 F2 (0.51) F2MEN1KMT2AHDAC6HDAC1
SCHEMBL7244643 0.89 F2 (0.50) F2MEN1NPC1KMT2AHDAC6
SCHEMBL6781239 0.89 F2 (0.57) F2HDAC6HDAC1ITKHDAC8
SCHEMBL7244700 0.88 F2 (0.48) F2MEN1KMT2AHDAC6HDAC1
SCHEMBL6781282 0.87 F2 (0.55) F2MEN1NPC1KMT2AHDAC6
SCHEMBL6781471 0.87 F2 (0.62) F2MEN1NPC1KMT2AHDAC6

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