SCHEMBL4951845

SCHEMBL4951845

CCC(C)(NC(=O)c1ccc(Cl)s1)c1cnn(-c2ccc(C3=NCCN3C)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL1095320 0.80 LMNA (0.39) F10MAPK1LMNAKMT2A
SCHEMBL1097360 0.75 MIF (0.54) F10MAPK1
SCHEMBL1096582 0.71 HPGD (0.43) F10MAPK1LMNAKMT2A
SCHEMBL3089643 0.70 HPGD (0.38) F10MAPK1LMNAKMT2A
SCHEMBL1096809 0.68 LMNA (0.42) F10MAPK1LMNAKMT2A
SCHEMBL1096001 0.68 F10 (0.42) F10MAPK1LMNAKMT2ASMN1; SMN2
SCHEMBL1096088 0.68 F10 (0.42) F10LMNA
SCHEMBL1095930 0.68 HPGD (0.43) F10MAPK1LMNAKMT2A
SCHEMBL1097619 0.68 F10 (0.53) F10LMNAKMT2ATP53
SCHEMBL4951841 0.67 F10 (0.34) F10

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