SCHEMBL14366553

SCHEMBL14366553

C#Cc1ccc(NC(=O)c2cc(C#C)ccc2NC(=O)c2ccc(C(=N)N3CCC(C(=O)OC)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.52
KCNH2 Q12809 3/20 0.51
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 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
SCHEMBL14345283 0.93 F10 (0.53) F10KCNH2TSHR
SCHEMBL14345442 0.91 F10 (0.54) F10KCNH2ALDH1A1KDM4EMAPT
SCHEMBL14345426 0.91 F10 (0.45) F10KCNH2TSHRALDH1A1KDM4E
SCHEMBL5533862 0.90 F10 (0.58) F10KCNH2ALDH1A1KDM4EMAPT
SCHEMBL14345338 0.87 F10 (0.56) F10KCNH2ALDH1A1KDM4EMAPT
SCHEMBL5534302 0.86 F10 (0.53) F10KCNH2
SCHEMBL14345123 0.86 KCNH2 (0.58) F10KCNH2ALDH1A1MAPTLMNA
SCHEMBL5530868 0.86 F10 (0.56) F10KCNH2ALDH1A1KDM4EMAPT
SCHEMBL5532251 0.85 L3MBTL1 (0.51) F10KCNH2ALDH1A1KDM4EMAPT
SCHEMBL14345133 0.85 KCNH2 (0.72) F10KCNH2TSHRALDH1A1LMNA

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