SCHEMBL11560699

SCHEMBL11560699

CC1(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.54
KDR P35968 1/20 0.54
STK39 Q9UEW8 1/20 0.50
PARG Q86W56 1/20 0.47
PNLIP P16233 8/20 0.47
RAF1 P04049 1/20 0.46
CDK8 P49336 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL11568138 0.85 MRGPRX4 (0.49) BRAFKDRMAPTNPSR1
SCHEMBL11567998 0.85 STK39 (0.45) BRAFKDRSTK39PARGPNLIP
SCHEMBL11564073 0.79 RXRA (0.48) BRAFKDRMAPTNPSR1
SCHEMBL11050028 0.79 BRAF (0.46) BRAFKDRMAPTNPSR1
SCHEMBL11565226 0.76 BRAF (0.47) BRAFKDRMAPTNPSR1SCN8A
SCHEMBL11563745 0.76 BRAF (0.44) BRAFKDRMAPTNPSR1
SCHEMBL11565893 0.76 BRAF (0.46) BRAFKDRRAF1MAPTNPSR1
SCHEMBL11566813 0.76 BRAF (0.46) BRAFKDRRAF1MAPTNPSR1
SCHEMBL11561946 0.75 RXRA (0.48) BRAFKDRMAPTNPSR1
SCHEMBL18205875 0.75 L3MBTL1 (0.52) MAPTNPSR1

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
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed