SCHEMBL11530249

SCHEMBL11530249

CCCCCc1ccc(C(=O)c2ccccc2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 5/20 0.52
▸ PLK3 Q9H4B4 3/20 0.52
▸ THRA P10827 7/20 0.51
▸ THRB P10828 7/20 0.51
▸ RARB P10826 5/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RARA P10276 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ NLRP3 Q96P20 1/20 0.49

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
SCHEMBL5414509 0.99 PLK1 (0.54) PLK1PLK3THRATHRBRARB
SCHEMBL11526984 0.99 PLK1 (0.54) PLK1PLK3THRATHRBRARB
SCHEMBL31483533 0.95 PLK1 (0.54) PLK1PLK3THRATHRBRARB
SCHEMBL6936245 0.84 THRA (0.56) THRATHRBRARBMEN1KMT2A
SCHEMBL2944041 0.84 PLK1 (0.64) PLK1PLK3RARBMEN1KMT2A
SCHEMBL5422705 0.84 PLK1 (0.56) PLK1PLK3THRATHRBRARB
SCHEMBL21362751 0.83 ALDH1A1 (0.60) PLK1MEN1KMT2AALDH1A1MAPT
SCHEMBL918747 0.82 PLK1 (0.66) PLK1PLK3THRATHRBRARB
SCHEMBL11530894 0.82 PLK1 (0.52) PLK1PLK3THRATHRBRARB
SCHEMBL11527731 0.82 PLK1 (0.55) PLK1PLK3THRATHRBRARB

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
US-4145444-A 4-BUTYL-BENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1979-03-20 — — US disclosed
US-4124726-A 2-FLUORO-4'-ALKYLBENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1978-11-07 — — US disclosed
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