SCHEMBL14546986

SCHEMBL14546986

COc1ccc(S(=O)(=O)O)cc1/N=N/c1cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(N)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.43
▸ ENPP2 Q13822 6/20 0.41
▸ KDM4E B2RXH2 4/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ THRB P10828 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ APEX1 P27695 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TP53 P04637 1/20 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
SCHEMBL14546780 0.98 PRMT1 (0.42) PRMT1ENPP2KDM4ETDP1MEN1
SCHEMBL14546777 0.89 ENPP2 (0.43) ENPP2KDM4ETDP1MEN1KMT2A
SCHEMBL14546781 0.89 ENPP2 (0.43) ENPP2KDM4ETDP1MEN1KMT2A
SCHEMBL14546768 0.89 ENPP2 (0.43) ENPP2KDM4ETDP1MEN1KMT2A
SCHEMBL12052948 0.89 PRMT1 (0.37) PRMT1ENPP2KDM4ETDP1MEN1
SCHEMBL14546906 0.89 KDM4E (0.40) PRMT1ENPP2KDM4ETDP1MEN1
SCHEMBL14546740 0.88 ENPP2 (0.38) PRMT1ENPP2KDM4ETDP1MEN1
SCHEMBL14546755 0.88 ENPP2 (0.38) PRMT1ENPP2KDM4ETDP1MEN1
SCHEMBL14547034 0.88 PRMT1 (0.46) PRMT1ENPP2KDM4ETDP1MEN1
SCHEMBL14546968 0.88 PHLPP2 (0.48) ENPP2KDM4ETDP1MEN1KMT2A

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-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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