SCHEMBL27638499

SCHEMBL27638499

CC(=O)c1cc(-c2ccc(O)c(F)c2)nc2ccc(-c3ccccc3O)cc12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.73
▸ ESR2 Q92731 9/20 0.73
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DHODH Q02127 4/20 0.46
▸ ALOX5AP P20292 2/20 0.43
▸ FEN1 P39748 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ACMSD Q8TDX5 1/20 0.41
▸ EPRS1 P07814 1/20 0.41
▸ MCL1 Q07820 1/20 0.41

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
SCHEMBL27659336 0.86 ESR1 (0.72) ESR1ESR2KMT2ADHODHKDM4E
SCHEMBL27659450 0.86 ESR1 (0.77) ESR1ESR2MEN1KMT2AALOX5AP
SCHEMBL3921639 0.85 ESR1 (1.00) ESR1ESR2MEN1KMT2ADHODH
SCHEMBL27659335 0.84 ESR1 (0.70) ESR1ESR2MEN1KMT2ADHODH
SCHEMBL27638496 0.83 ESR1 (0.73) ESR1ESR2DHODHALOX5APFEN1
SCHEMBL27638488 0.82 ESR1 (0.67) ESR1ESR2MEN1KMT2ADHODH
SCHEMBL27638495 0.82 ESR1 (0.67) ESR1ESR2MEN1KMT2ADHODH
SCHEMBL27638498 0.81 ESR2 (0.71) ESR1ESR2ALOX5APFEN1
SCHEMBL27638485 0.81 ESR2 (0.71) ESR1ESR2MEN1KMT2AALOX5AP
SCHEMBL27638541 0.81 ESR2 (0.62) ESR1ESR2MEN1KMT2AALOX5AP

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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