SCHEMBL14923337

SCHEMBL14923337

Cc1cc(N)c(OCCCS(=O)(=O)O)cc1/N=N\c1ccc(N(N)c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.36
▸ SENP2 Q9HC62 4/20 0.35
▸ SENP3 Q9H4L4 3/20 0.35
▸ SENP1 Q9P0U3 3/20 0.35
▸ SUMO2 P61956 3/20 0.35
▸ SUMO1 P63165 3/20 0.35
▸ SENP7 Q9BQF6 3/20 0.35
▸ TP53 P04637 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ P2RX5 Q93086 2/20 0.34
▸ P2RX4 Q99571 2/20 0.34
▸ P2RX2 Q9UBL9 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ ENPP1 P22413 1/20 0.32

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
SCHEMBL6126049 0.90 P2RX5 (0.41) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL18257343 0.89 P2RX5 (0.43) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL6125388 0.87 ENPP2 (0.43) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL12215460 0.87 P2RX5 (0.42) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL14923338 0.85 CTDSP1 (0.41) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL16454195 0.85 ENPP2 (0.41) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL6125338 0.84 ENPP2 (0.41) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL18257345 0.84 TP53 (0.38) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL6125389 0.83 ENPP2 (0.42) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL12830667 0.83 ENPP2 (0.42) ENPP2SENP2SENP3SENP1SUMO2

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
EP-2589631-A1 INK COMPOSITION, INKJET RECORDING METHOD AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2013-05-08 — — EP disclosed
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