SCHEMBL14366554

SCHEMBL14366554

C#Cc1ccc(NC(=O)c2cc(C#C)ccc2NC(=O)c2ccc(C(=N)N3CCC(C(=O)OCC)CC3)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
LMNA P02545 1/20 0.44
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
KMT2A Q03164 2/20 0.43
F10 P00742 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 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
SCHEMBL14345296 0.94 KCNH2 (0.61) KCNH2LMNAITGB3ITGA2BKMT2A
SCHEMBL14345290 0.93 KCNH2 (0.52) KCNH2LMNAITGB3ITGA2BKMT2A
SCHEMBL14345426 0.92 F10 (0.45) KCNH2ITGB3ITGA2BKMT2AF10
SCHEMBL14345441 0.90 F10 (0.44) KCNH2ITGB3ITGA2BKMT2AF10
SCHEMBL5528854 0.88 F10 (0.48) KCNH2ITGB3ITGA2BF10NPC1
SCHEMBL14345340 0.86 KCNH2 (0.73) KCNH2F10
SCHEMBL14366121 0.86 F10 (0.49) KCNH2F10
SCHEMBL14345133 0.85 KCNH2 (0.72) KCNH2LMNAF10
SCHEMBL14345258 0.85 F10 (0.48) KCNH2ITGB3ITGA2BF10NPC1
SCHEMBL14345123 0.85 KCNH2 (0.58) KCNH2LMNAKMT2AF10MAPT

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-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed