SCHEMBL9723974

SCHEMBL9723974

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.44
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.42
NT5E P21589 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40
CASP6 P55212 1/20 0.39
HTT P42858 1/20 0.39
PRMT3 O60678 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
SCHEMBL9723951 0.93 KMT2A (0.43) ENPP2KMT2AALDH1A1MAPTPOLB
SCHEMBL9723968 0.92 ENPP2 (0.46) ENPP2KMT2AALDH1A1MAPTPOLB
SCHEMBL9723975 0.84 PRMT1 (0.46) ENPP2KMT2AALDH1A1MAPTPOLB
SCHEMBL6124913 0.83 ENPP2 (0.59) ENPP2KMT2AALDH1A1MAPTPOLB
SCHEMBL15985990 0.81 PTGES (0.36) ENPP2KMT2AALDH1A1NT5ETP53
SCHEMBL14529309 0.80 PRMT3 (0.58) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL31519881 0.80 PRMT3 (0.58) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL13880628 0.80 PRMT3 (0.58) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL11519290 0.80 ALDH1A1 (0.65) KMT2AALDH1A1MAPTPOLBKDM4E
SCHEMBL7775064 0.78 NT5E (0.49) ENPP2KMT2AALDH1A1MAPTPOLB

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