SCHEMBL9723968

SCHEMBL9723968

CC(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)CCOS(=O)(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.46
NT5E P21589 1/20 0.46
CASP6 P55212 2/20 0.41
PRMT1 Q99873 2/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
RAB9A P51151 1/20 0.39
TNNC1 P63316 1/20 0.39
RUNX1 Q01196 1/20 0.39
CBFB Q13951 1/20 0.39
NSD2 O96028 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL9723975 0.92 PRMT1 (0.46) ENPP2NT5ECASP6PRMT1KMT2A
SCHEMBL9723974 0.92 ENPP2 (0.44) ENPP2NT5ECASP6PRMT1KMT2A
SCHEMBL9723951 0.85 KMT2A (0.43) ENPP2NT5ECASP6PRMT1KMT2A
SCHEMBL6124913 0.84 ENPP2 (0.59) ENPP2NT5ECASP6PRMT1KMT2A
SCHEMBL13880639 0.84 PRMT1 (0.59) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL12829323 0.81 SNCA (0.38) ENPP2NT5ECASP6KMT2AALDH1A1
SCHEMBL6028241 0.79 NT5E (0.55) ENPP2NT5ECASP6ALDH1A1MAPT
SCHEMBL1803095 0.78 NT5E (0.56) ENPP2NT5ECASP6PRMT1KMT2A
SCHEMBL31519881 0.77 PRMT3 (0.58) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL13880628 0.77 PRMT3 (0.58) ENPP2PRMT1PRMT3EP300PRMT6

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-5082963-A Water solubility HOECHST CELANESE CORPORATION (US) 1992-01-21 US disclosed