SCHEMBL9781576

SCHEMBL9781576

CN=Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX5 Q93086 2/20 0.44
▸ P2RX4 Q99571 2/20 0.44
▸ P2RX2 Q9UBL9 2/20 0.44
▸ ENPP1 P22413 1/20 0.42
▸ ENPP2 Q13822 2/20 0.41
▸ SENP2 Q9HC62 6/20 0.41
▸ SENP3 Q9H4L4 5/20 0.41
▸ SENP1 Q9P0U3 5/20 0.41
▸ SUMO2 P61956 4/20 0.41
▸ SUMO1 P63165 4/20 0.41
▸ SENP7 Q9BQF6 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL9781565 0.86 P2RX3 (0.42) P2RX2SENP2SENP3SENP1SUMO2
SCHEMBL1804272 0.85 ALDH1A1 (0.43) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL18803827 0.83 CA2 (0.41) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL14271164 0.80 P2RX5 (0.37) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL14546771 0.80 P2RX5 (0.37) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL12054237 0.79 THRB (0.55) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL12052698 0.78 MPL (0.42) ALDH1A1TDP1KDM4EMAPTRAB9A
SCHEMBL28711292 0.78 POLB (0.64) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL2443307 0.77 P2RX5 (0.40) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL15386696 0.77 ALDH1A1 (0.58) P2RX5P2RX4P2RX2ENPP1ENPP2

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-5049238-A Naphthol dyes CIBA-GEIGY CORPORATION (US) 1991-09-17 — — US disclosed
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