SCHEMBL27659339

SCHEMBL27659339

Oc1ccc(-c2cc(Br)c3cc(-c4ccccc4O)cc(Cl)c3n2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 13/20 0.50
▸ ESR2 Q92731 13/20 0.50
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ HSD17B1 P14061 2/20 0.38
▸ HSD17B2 P37059 2/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ MAPT P10636 1/20 0.34

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
SCHEMBL27638481 0.87 ESR1 (0.50) ESR1ESR2ALOX5APFEN1HSD17B1
SCHEMBL27659342 0.84 ESR1 (0.54) ESR1ESR2ALOX5APFEN1HSD17B1
SCHEMBL27659356 0.84 ESR1 (0.53) ESR1ESR2ALOX5APFEN1HSD17B1
SCHEMBL3922723 0.83 ESR1 (0.63) ESR1ESR2HSD17B1HSD17B2
SCHEMBL27659409 0.82 ESR1 (0.45) ESR1ESR2ALOX5APFEN1HSD17B1
SCHEMBL27638485 0.81 ESR2 (0.71) ESR1ESR2ALOX5APFEN1HSD17B1
SCHEMBL27638498 0.77 ESR2 (0.71) ESR1ESR2ALOX5APFEN1HSD17B1
SCHEMBL27638483 0.75 ESR1 (0.45) ESR1ESR2ALOX5APFEN1HSD17B1
SCHEMBL3924370 0.74 ESR1 (0.67) ESR1ESR2
SCHEMBL27638480 0.74 ESR1 (0.59) ESR1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1823046-A Phenyl quinolines and their use as estrogen receptor modulators WYETH CORP (US) 2006-08-23 — — CN claimed
CN-1823046-A Phenyl quinolines and their use as estrogen receptor modulators WYETH CORP (US) 2006-08-23 — — CN disclosed
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