SCHEMBL4947618

SCHEMBL4947618

CC1(c2ccc(-c3nc(CNC(=O)c4ccc(Cl)s4)cs3)cc2)NCCN1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.52
RHOC P08134 1/20 0.48
RHOA P61586 1/20 0.48
HPGD P15428 4/20 0.44
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1097423 0.82 F10 (0.56) F10RHOCRHOAHPGDTP53
SCHEMBL10282497 0.81 F10 (0.55) F10RHOCRHOAHPGDTP53
SCHEMBL1096846 0.81 F10 (0.53) F10RHOCRHOAHPGDTP53
SCHEMBL1106589 0.79 F10 (0.53) F10RHOCRHOAHPGDTP53
SCHEMBL1096299 0.78 F10 (0.48) F10RHOCRHOAHPGDTP53
SCHEMBL1096804 0.77 F10 (0.52) F10RHOCRHOAHPGDTP53
SCHEMBL1095983 0.77 F10 (0.51) F10RHOCRHOAHPGDTP53
SCHEMBL1096188 0.77 F10 (0.53) F10RHOCRHOAHPGDTP53
SCHEMBL1097619 0.77 F10 (0.53) F10RHOCRHOAHPGDTP53
SCHEMBL1098342 0.73 F10 (0.49) F10RHOCRHOAHPGDTP53

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-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed