SCHEMBL28097912

SCHEMBL28097912

COc1ncc(-c2ccccc2)c(CCl)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ SQOR Q9Y6N5 7/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ CYP17A1 P05093 2/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CTSA P10619 3/20 0.35
▸ USP7 Q93009 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35

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
SCHEMBL6916456 0.76 ALOX5AP (0.51) MAPTCASP1ALOX5APFEN1SQOR
SCHEMBL14478703 0.75 SQOR (0.49) MAPTCASP1ALOX5APFEN1SQOR
SCHEMBL21932453 0.74 RORC (0.36) —
SCHEMBL23088096 0.73 ULK1 (0.34) ALOX5APFEN1
SCHEMBL24713444 0.69 SQOR (0.53) MAPTCASP1ALOX5APFEN1SQOR
SCHEMBL30439186 0.68 MAPT (0.56) MAPTCASP1ALOX5APFEN1SQOR
SCHEMBL20764961 0.68 MAPT (0.56) MAPTCASP1ALOX5APFEN1SQOR
SCHEMBL18180213 0.68 MEN1 (0.44) MAPTSQORKMT2APIK3CGCYP17A1
SCHEMBL5780699 0.68 MAPT (0.59) MAPTCASP1SQORKMT2APIK3CG
SCHEMBL2434147 0.68 MAPT (0.48) MAPTCASP1ALOX5APFEN1SQOR

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
CN-106065012-A Glyoxaline compound 广东众生药业股份有限公司 2016-11-02 — — CN disclosed
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