SCHEMBL13947102

SCHEMBL13947102

COC(=O)c1cc(Oc2ncc(CCl)cc2C(F)(F)F)c(F)cc1N(C(=O)C1CCCCC1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.34
▸ PTK2 Q05397 3/20 0.33
▸ STAT3 P40763 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30

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
SCHEMBL13044704 0.93 SCN9A (0.35) SCN9APTK2KDR
SCHEMBL13947101 0.92 PTK2 (0.34) SCN9APTK2OPRK1MAPTLRRK2
SCHEMBL13044788 0.89 PTK2 (0.32) SCN9APTK2OPRK1
SCHEMBL13947329 0.88 POLB (0.37) PTK2MAPT
SCHEMBL13044756 0.86 SCN9A (0.34) SCN9APTK2KDR
SCHEMBL13044742 0.85 SCN9A (0.35) SCN9APTK2KDRLRRK2
SCHEMBL11991594 0.85 SCN9A (0.33) SCN9APTK2KDRLRRK2
SCHEMBL13815448 0.85 SCN9A (0.33) SCN9APTK2KDRLRRK2
SCHEMBL13044744 0.85 SCN9A (0.33) SCN9APTK2KDR
SCHEMBL13044802 0.85 SCN9A (0.33) SCN9APTK2KDR

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
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO disclosed
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