SCHEMBL7244643

SCHEMBL7244643

Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC#N)Cc3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
HDAC1 Q13547 6/20 0.43
HDAC8 Q9BY41 2/20 0.43
LIMK1 P53667 2/20 0.43
LIMK2 P53671 2/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
AR P10275 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC6 Q9UBN7 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 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
SCHEMBL7245210 0.94 F2 (0.51) F2HDAC1HDAC8FNTAFNTB
SCHEMBL7245070 0.93 F2 (0.53) F2HDAC1HDAC8FNTAFNTB
SCHEMBL7249769 0.91 HSD17B10 (0.47) F2FNTAFNTBALDH1A1
SCHEMBL7245916 0.90 F2 (0.46) F2HDAC1FNTAFNTBCNR1
SCHEMBL7245646 0.89 F2 (0.63) F2HDAC1HDAC8HDAC6MEN1
SCHEMBL7252107 0.88 F2 (0.49) F2HDAC1HDAC8FNTAFNTB
SCHEMBL7245590 0.87 CNR2 (0.45) F2BCHEACHECNR1CNR2
SCHEMBL7244700 0.86 F2 (0.48) F2HDAC1HDAC8CNR1CNR2
SCHEMBL7245893 0.84 F2 (0.53) F2HDAC1HDAC8FNTAFNTB
SCHEMBL7246953 0.83 F2 (0.46) F2HDAC1HDAC8BCHEACHE

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