SCHEMBL14621981

SCHEMBL14621981

Cn1c(=O)c(C#N)c2c3c(c(Sc4ccccc4C(=O)O)ccc31)C(=O)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 2/20 0.42
▸ ALDH1A1 P00352 8/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ USP2 O75604 3/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ MAP3K5 Q99683 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GRIA2 P42262 1/20 0.36

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
SCHEMBL14621549 0.87 MEN1 (0.38) PABPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6824878 0.75 MEN1 (0.67) PABPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6825619 0.74 MAPT (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9148849 0.73 NR4A1 (0.52) PABPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8445289 0.69 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2639922 0.69 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6825327 0.68 MAPT (0.46) PABPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5186500 0.67 POLB (0.57) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL11565243 0.66 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11604598 0.65 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTKDM4E

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-1739135-A2 Colorant compounds containing copolymerizable vinyl groups Eastman Chemical Company (US) 2007-01-03 — — EP disclosed
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