SCHEMBL14684530

SCHEMBL14684530

COc1cc(N=Nc2c(N)c(N=Nc3ccccc3S(=O)(=O)O)c(N)c(N=Nc3ccc([SH](=O)=O)cc3)c2C(=O)O)c(S(=O)(=O)O)cc1N=Nc1ccc([SH](=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 3/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ APP P05067 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ SLC7A11 Q9UPY5 3/20 0.39
▸ SENP2 Q9HC62 3/20 0.39
▸ SENP1 Q9P0U3 3/20 0.39
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ MAPK1 P28482 2/20 0.38

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 0.98 PHLPP2 (0.40) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL14684391 0.92 PHLPP2 (0.44) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL14684529 0.89 ENPP2 (0.42) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL14684541 0.86 ENPP2 (0.39) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL14684389 0.85 ENPP2 (0.43) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL14684461 0.83 ENPP2 (0.40) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL22413438 0.82 PHLPP2 (0.50) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL22413437 0.74 PHLPP2 (0.49) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL14159095 0.71 THRB (0.43) PHLPP2MEN1MAPTKMT2AALDH1A1
SCHEMBL13386969 0.71 THRB (0.43) PHLPP2MEN1MAPTKMT2AALDH1A1

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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