SCHEMBL14232159

SCHEMBL14232159

CC(C(=O)O)n1c(C(F)F)cc2c(Cl)c(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.44
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL2431292 0.82 AR (0.49) PTGDR2PGRAR
SCHEMBL2428149 0.75 AR (0.47) PTGDR2PGRAR
SCHEMBL14231949 0.71 — —
SCHEMBL14231582 0.70 PGR (0.46) PTGDR2PGRARKDM4EGAA
SCHEMBL2428087 0.69 AR (0.43) PGRAR
SCHEMBL14232156 0.68 RORA (0.34) —
SCHEMBL3104074 0.64 NOTUM (0.44) PTGDR2KDM4EPTGS2
SCHEMBL15486713 0.63 DNMT1 (0.45) PTGDR2MCL1
SCHEMBL948599 0.63 ALDH1A1 (0.41) PTGDR2KDM4EGAAALDH1A1
SCHEMBL11397353 0.62 ALDH1A1 (0.41) PTGDR2KDM4EGAAALDH1A1

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-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 — — WO disclosed
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