SCHEMBL6585701

SCHEMBL6585701

O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(F)cc1CC(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.59
KLKB1 P03952 2/20 0.52
KCNH2 Q12809 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL5389729 0.84 F10 (0.62) F10KLKB1KCNH2SMN1; SMN2NPC1
SCHEMBL3165956 0.83 F10 (0.65) F10KLKB1KCNH2SMN1; SMN2NPC1
SCHEMBL4857507 0.82 F10 (0.66) F10KLKB1KCNH2SMN1; SMN2NPC1
SCHEMBL5392608 0.82 F10 (0.79) F10KLKB1KCNH2SMN1; SMN2NPC1
SCHEMBL5388857 0.81 F10 (0.58) F10KLKB1KCNH2
SCHEMBL4848484 0.81 F10 (0.65) F10KLKB1KCNH2SMN1; SMN2NPC1
SCHEMBL8356569 0.80 F10 (0.64) F10KLKB1KCNH2SMN1; SMN2NPC1
SCHEMBL3166031 0.80 F10 (0.61) F10KLKB1KCNH2
SCHEMBL13315125 0.80 SMN1; SMN2 (0.77) F10KCNH2SMN1; SMN2NPC1ALDH1A1
SCHEMBL13315095 0.80 F10 (0.73) F10KCNH2SMN1; SMN2NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379506-A2 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002064567-A2 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2002-08-22 WO disclosed