SCHEMBL29959416

SCHEMBL29959416

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(S(=O)(=O)O)ccc3O)c(O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.61
▸ ENPP2 Q13822 6/20 0.56
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ DNASE1L3 Q13609 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA3 P07451 1/20 0.53
▸ FUT8 Q9BYC5 1/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ GRK2 P25098 1/20 0.48
▸ PLEC Q15149 1/20 0.48
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CD40 P25942 1/20 0.44
▸ CD40LG P29965 1/20 0.44

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
SCHEMBL13880703 0.89 PRMT1 (0.48) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL1139743 0.85 ENPP2 (0.56) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14400292 0.85 PRMT1 (0.52) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL110153 0.85 ENPP2 (0.56) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL185815 0.85 ENPP2 (0.56) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL185813 0.84 ENPP2 (0.55) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL27732032 0.84 ENPP2 (0.55) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL9139032 0.84 CYP1A2 (0.52) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL13892242 0.84 ENPP2 (0.50) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL12954923 0.84 ENPP2 (0.68) PRMT1ENPP2CYP1A2CYP2C9MAPK1

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-3485076-B1 CLEANING AGENT IDENTIFICATION HENKEL AG & CO KGAA (DE) 2022-11-02 — — EP disclosed
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