SCHEMBL7249769

SCHEMBL7249769

Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC#N)Cc3cccnc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ F2 P00734 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ PDK1 Q15118 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ ITK Q08881 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
SCHEMBL7244643 0.91 F2 (0.50) F2ALDH1A1FNTAFNTB
SCHEMBL7246372 0.88 PDK1 (0.51) F2LMNAPDK1MAPTITK
SCHEMBL7245210 0.87 F2 (0.51) F2FNTAFNTBITK
SCHEMBL7245916 0.86 F2 (0.46) F2FNTAFNTBITK
SCHEMBL7245070 0.84 F2 (0.53) F2FNTAFNTB
SCHEMBL7245590 0.84 CNR2 (0.45) F2
SCHEMBL7244700 0.82 F2 (0.48) F2RECQLALDH1A1GAAITK
SCHEMBL7247078 0.82 F2 (0.51) F2PDK1ITK
SCHEMBL7245646 0.82 F2 (0.63) F2ITK
SCHEMBL7246953 0.80 F2 (0.46) F2RECQLITK

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
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