SCHEMBL14546980

SCHEMBL14546980

Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)cc1/N=N/c1ccccc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.35
▸ THRB P10828 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ P2RX5 Q93086 2/20 0.34
▸ P2RX4 Q99571 2/20 0.34
▸ P2RX2 Q9UBL9 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ CYP1A2 P05177 5/20 0.33
▸ SUMO2 P61956 3/20 0.33
▸ SUMO1 P63165 3/20 0.33

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
SCHEMBL14546998 0.95 ENPP1 (0.37) ENPP1THRBALDH1A1TDP1P2RX5
SCHEMBL14546914 0.90 THRB (0.44) ENPP1THRBALDH1A1TDP1P2RX5
SCHEMBL14546952 0.89 SENP2 (0.34) ENPP1THRBALDH1A1TDP1P2RX5
SCHEMBL14546782 0.88 ENPP2 (0.40) THRBALDH1A1TDP1MAPTCYP2C19
SCHEMBL14547008 0.86 MAPT (0.43) ENPP1THRBALDH1A1TDP1P2RX5
SCHEMBL14547010 0.86 ENPP2 (0.38) ENPP1THRBALDH1A1TDP1P2RX5
SCHEMBL14546921 0.86 NSD2 (0.37) ENPP1THRBALDH1A1TDP1P2RX5
SCHEMBL14546994 0.86 BRD4 (0.37) THRBALDH1A1TDP1P2RX5P2RX4
SCHEMBL14546910 0.86 BRD4 (0.37) THRBALDH1A1TDP1P2RX5P2RX4
SCHEMBL12053254 0.86 ENPP1 (0.33) ENPP1ALDH1A1TDP1P2RX5P2RX4

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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