SCHEMBL7545347

SCHEMBL7545347

Nc1ccc(S(=O)(=O)N(N)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
CYP2C9 P11712 4/20 0.47
CYP3A4 P08684 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.46
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
TSHR P16473 3/20 0.45
LMNA P02545 1/20 0.45
MPO P05164 1/20 0.45
HTR6 P50406 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL14940242 0.92 CYP3A4 (0.47) PKMCYP2C9CYP3A4TDP1CYP2C19
SCHEMBL22257152 0.88 APOBEC3G (0.52) PKMTDP1ALDH1A1KMT2AESR1
SCHEMBL6432835 0.88 APOBEC3G (0.52) PKMTDP1ALDH1A1KMT2AESR1
SCHEMBL9761442 0.83 CA12 (0.66) PKMALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL2518894 0.79 CA12 (0.71) CYP2C9KDM4EMAPTL3MBTL1KMT2A
SCHEMBL9943359 0.76 PGR (0.49) PKMCYP2C9CYP3A4TDP1CYP2C19
SCHEMBL27336572 0.76 CA12 (0.56) ALDH1A1KDM4EMAPTL3MBTL1KMT2A
SCHEMBL11303984 0.75 ESR1 (0.43) PKMCYP2C9CYP3A4TDP1CYP2C19
SCHEMBL8817144 0.75 KMT2A (0.51) PKMCYP2C9CYP3A4TDP1CYP2C19
SCHEMBL2603075 0.75 ESR1 (0.71) CYP2C9ALDH1A1MAPTKMT2AESR1

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-2002044284-A1 TRISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO disclosed