SCHEMBL16634795

SCHEMBL16634795

CC(C)(C)c1c(C(=O)O)ccc(-n2c(=O)[nH]c3cccc(F)c32)c1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.44
NOTUM Q6P988 8/20 0.36
FEN1 P39748 1/20 0.34
GNRHR P30968 1/20 0.33
DHODH Q02127 6/20 0.33
HSP90AA1 P07900 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
SCHEMBL16634734 0.74 DAO (0.50) DAOFEN1
SCHEMBL16634793 0.70 DAO (0.43) DAOFEN1HSP90AA1
SCHEMBL10222518 0.67 ALB (0.55) NOTUM
SCHEMBL16634615 0.65 RORC (0.46) DAOHSP90AA1
SCHEMBL13954881 0.63 DAO (0.64) DAOFEN1
SCHEMBL13015570 0.63 DAO (0.46) DAODHODH
SCHEMBL16634634 0.62 KEAP1 (0.46)
SCHEMBL161622 0.62 ALOX15 (0.53) NOTUM
SCHEMBL4942021 0.62 CYP1A2 (0.50) NOTUM
SCHEMBL30615321 0.60 DAO (0.48) DAOFEN1

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed