SCHEMBL14684391

SCHEMBL14684391

COc1cc(N=Nc2ccc([SH](=O)=O)cc2S(=O)(=O)O)c(C)cc1N=Nc1c(N)c(N=Nc2ccccc2S(=O)(=O)O)c(N)c(N=Nc2ccc([SH](=O)=O)cc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 3/20 0.44
▸ ENPP2 Q13822 8/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ SLC10A1 Q14973 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL14684403 0.94 PHLPP2 (0.40) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL14684530 0.92 PHLPP2 (0.40) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL14684529 0.89 ENPP2 (0.42) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL14684541 0.87 ENPP2 (0.39) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL14684389 0.86 ENPP2 (0.43) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL14684461 0.84 ENPP2 (0.40) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL22413438 0.80 PHLPP2 (0.50) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL15835813 0.73 PHLPP2 (0.42) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL22413437 0.72 PHLPP2 (0.49) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL31489958 0.71 SENP2 (0.47) PHLPP2ENPP2MEN1ALDH1A1MAPT

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
WO-2013017331-A1 MIXTURES OF REACTIVE DYES AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2013-02-07 — — WO disclosed
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