SCHEMBL4947248

SCHEMBL4947248

CCOC(=O)C1CCN(C(=N)c2ccc(-c3cc(CNCC(=O)c4ccc(Cl)s4)on3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
THRB P10828 2/20 0.42
F10 P00742 3/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1096746 0.90 F10 (0.49) KCNH2THRBF10TP53TSHR
SCHEMBL4947858 0.88 POLB (0.36) LMNANPC1RAB9A
SCHEMBL1096380 0.86 THRB (0.43) KCNH2THRBF10TP53TSHR
SCHEMBL1097104 0.75 F10 (0.48) KCNH2THRBF10TP53TSHR
SCHEMBL1096743 0.75 F10 (0.47) F10LMNAKDM4ENPC1RAB9A
SCHEMBL1096740 0.75 F10 (0.47) F10LMNAKDM4ENPC1RAB9A
SCHEMBL1095346 0.75 POLB (0.45) F10TSHRLMNAKDM4E
SCHEMBL1106532 0.75 POLB (0.45) F10TSHRLMNAKDM4E
SCHEMBL1097250 0.74 USP30 (0.42) F10NPC1RAB9A
SCHEMBL1098649 0.74 F10 (0.48) KCNH2THRBF10TP53TSHR

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 4 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 claimed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
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