SCHEMBL24499404

SCHEMBL24499404

Cc1cc(F)c(-c2cc(F)cc(F)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
RAPGEF4 Q8WZA2 3/20 0.39
ACHE P22303 2/20 0.38
NFE2L2 Q16236 4/20 0.34
NOTUM Q6P988 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
PGR P06401 1/20 0.33
GPR35 Q9HC97 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL14926556 0.84 NOTUM (0.39) RAPGEF4NOTUMNISCHGPR35CA12
SCHEMBL17514549 0.81 RAPGEF4 (0.48) RAPGEF4ACHENFE2L2
SCHEMBL13986747 0.80 RAPGEF4 (0.42) DHODHRAPGEF4ACHENFE2L2
SCHEMBL10014275 0.80 RAPGEF4 (0.42) DHODHRAPGEF4ACHENFE2L2
SCHEMBL10018717 0.80 HDAC1 (0.39) DHODHRAPGEF4ACHENFE2L2
SCHEMBL10018706 0.80 ACHE (0.43) DHODHACHENFE2L2
SCHEMBL17943190 0.78 NFE2L2 (0.42) DHODHACHENFE2L2
SCHEMBL1043323 0.78 ACHE (0.48) RAPGEF4ACHENFE2L2
SCHEMBL20261216 0.78 SELL (0.40) RAPGEF4ACHENFE2L2
SCHEMBL17515038 0.76 NFE2L2 (0.32) DHODHNFE2L2

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-2022117551-A1 LIQUID CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL DEVICE MERCK PATENT GMBH (DE) 2022-06-09 WO disclosed