SCHEMBL14204702

SCHEMBL14204702

Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(NCF)cc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.58
▸ CYP1A2 P05177 2/20 0.50
▸ PRMT1 Q99873 1/20 0.48
▸ MAPK1 P28482 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ DNASE1L3 Q13609 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SUMO2 P61956 1/20 0.42
▸ SUMO1 P63165 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP3 Q9H4L4 1/20 0.42
▸ SENP2 Q9HC62 1/20 0.42
▸ SENP1 Q9P0U3 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ FUT8 Q9BYC5 1/20 0.40

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
SCHEMBL13715778 0.87 ENPP2 (0.60) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL14269776 0.87 ENPP2 (0.60) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL14178597 0.85 ENPP2 (0.42) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL14220398 0.85 ENPP2 (0.65) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL12810368 0.84 CYP1A2 (0.57) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL15355551 0.83 ENPP2 (0.58) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL71163 0.82 ENPP2 (0.57) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL13763488 0.82 CYP1A2 (0.55) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL14038348 0.81 FUT8 (0.57) ENPP2CYP1A2PRMT1MAPK1CYP2C9
SCHEMBL4758806 0.81 ENPP2 (0.53) ENPP2CYP1A2PRMT1MAPK1CYP2C9

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
US-20080104776-A1 Bichromatic and/or trichromatic azo dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-08 — — US disclosed
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