SCHEMBL7571104

SCHEMBL7571104

CC(=O)Nc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.70
APEX1 P27695 1/20 0.54
PPARG P37231 1/20 0.47
RAD51 Q06609 2/20 0.47
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PABPC1 P11940 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TOP2A P11388 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOA P21397 1/20 0.41
SMO Q99835 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40

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
SCHEMBL7571111 1.00 ENPP2 (0.70) ENPP2APEX1PPARGRAD51RAB9A
SCHEMBL16272371 0.91 ENPP2 (0.79) ENPP2APEX1PPARGRAD51RAB9A
SCHEMBL14358432 0.87 ENPP2 (0.91) ENPP2APEX1RAD51RAB9ANPC1
SCHEMBL9321055 0.87 ENPP2 (0.91) ENPP2APEX1RAD51RAB9ANPC1
SCHEMBL28171088 0.86 ENPP2 (0.80) ENPP2APEX1PPARGRAD51RAB9A
SCHEMBL11366643 0.84 HTR2A (0.47) ENPP2MAOA
SCHEMBL11366642 0.84 HTR2A (0.47) ENPP2MAOA
SCHEMBL17562373 0.84 ENPP2 (0.67) ENPP2RAB9ANPC1MEN1KMT2A
SCHEMBL15444364 0.83 ENPP2 (0.67) ENPP2APEX1PPARGRAD51RAB9A
SCHEMBL14358454 0.82 ENPP2 (0.66) ENPP2APEX1PPARGRAD51RAB9A

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
WO-2002055488-A1 ASYMMETRIC DIVINYLSTILBENE-SULPHONIC ACIDS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-07-18 WO disclosed