SCHEMBL17601972

SCHEMBL17601972

Cc1cc(-c2cc(C)c(N(Cc3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)Cc3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c(C)c2)cc(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP3 Q9H4L4 3/20 0.36
SENP2 Q9HC62 3/20 0.36
SENP1 Q9P0U3 3/20 0.36
SUMO2 P61956 2/20 0.36
SUMO1 P63165 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
ALDH1A1 P00352 7/20 0.35
TSHR P16473 4/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ENPP2 Q13822 2/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CASP6 P55212 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL574369 0.79 SUMO2 (0.36) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL17164549 0.75 ESR1 (0.39) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL17223605 0.75 CNR2 (0.42) CYP3A4CYP2C9CYP2C19CYP2D6MAPT
SCHEMBL19897949 0.74 ESR1 (0.38) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL574620 0.71 EGFR (0.37) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL5115210 0.70 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HSD17B10CYP2C9
SCHEMBL431618 0.68 ALDH1A1 (0.44) SENP2SUMO2SUMO1SENP7ALDH1A1
SCHEMBL14935828 0.68 ALDH1A1 (0.45) ALDH1A1TSHRTP53CYP3A4TDP1
SCHEMBL4698065 0.68 ALDH1A1 (0.52) SENP3SENP2SENP1SUMO2SUMO1
Sulfuric Acid SCHEMBL8521097 0.67 ALDH1A1 (0.70) SENP3SENP2SENP1SUMO2SUMO1

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-20160084809-A1 SIMULTANEOUS DETERMINATION OF MULTIPLE ANALYTES IN INDUSTRIAL WATER SYSTEM BL TECHNOLOGIES, INC. 2016-03-24 US disclosed