SCHEMBL9723951

SCHEMBL9723951

CC(=O)Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)CCOS(=O)(=O)O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
PRMT1 Q99873 2/20 0.42
PRMT3 O60678 1/20 0.42
EP300 Q09472 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ENPP2 Q13822 2/20 0.42
CASP6 P55212 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.39
HTT P42858 1/20 0.39
CDK1 P06493 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GLA P06280 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37

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
SCHEMBL9723974 0.93 ENPP2 (0.44) KMT2AALDH1A1MAPTPOLBPRMT1
SCHEMBL9723975 0.91 PRMT1 (0.46) KMT2AALDH1A1MAPTPOLBPRMT1
SCHEMBL9723968 0.85 ENPP2 (0.46) KMT2AALDH1A1MAPTPOLBPRMT1
SCHEMBL10611415 0.81 PRMT1 (0.67) PRMT1PRMT3EP300PRMT6ENPP2
SCHEMBL29660882 0.81 PRMT1 (0.67) PRMT1PRMT3EP300PRMT6ENPP2
SCHEMBL10611423 0.81 PRMT1 (0.67) PRMT1PRMT3EP300PRMT6ENPP2
SCHEMBL11519290 0.80 ALDH1A1 (0.65) KMT2AALDH1A1MAPTPOLBKDM4E
SCHEMBL9401854 0.80 CASP6 (0.48) KMT2AALDH1A1MAPTPOLBKDM4E
SCHEMBL13880631 0.78 PRMT1 (0.64) KMT2AMAPTPRMT1PRMT3EP300
SCHEMBL13880639 0.77 PRMT1 (0.59) PRMT1PRMT3EP300PRMT6ENPP2

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