SCHEMBL20080447

SCHEMBL20080447

CN1Cc2ccc(Br)c3cccc(c23)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 13/20 0.52
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PABPC1 P11940 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TP53 P04637 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ BRD1 O95696 1/20 0.44
▸ TAF1 P21675 1/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ S1PR2 O95136 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL4866412 0.76 CYP1B1 (0.69) CYP1B1LMNAALDH1A1POLBKDM4E
SCHEMBL30905987 0.76 CYP1B1 (0.69) CYP1B1LMNAALDH1A1POLBKDM4E
SCHEMBL23340159 0.73 CYP11B2 (0.56) CYP1B1ALDH1A1KDM4EMEN1MAPT
SCHEMBL12561180 0.73 PKM (0.57) CYP1B1LMNAALDH1A1POLBKDM4E
SCHEMBL30517121 0.73 PKM (0.57) CYP1B1LMNAALDH1A1POLBKDM4E
SCHEMBL30517035 0.72 ALDH1A1 (0.55) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL3583801 0.72 ALDH1A1 (0.55) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL29822885 0.72 ALDH1A1 (0.55) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL1333882 0.72 PIM1 (0.46) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL13727049 0.71 TYMS (0.66) CYP1B1LMNAALDH1A1POLBKDM4E

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
EP-1963436-B1 SPECIFIC DYES OF NAPHTHALIMIDE TYPE, DYEING COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USES OREAL (FR) 2018-04-25 — — EP disclosed
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