SCHEMBL7778327

SCHEMBL7778327

N#Cc1c(-c2ccc(Cl)cc2)[nH]c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MCL1 Q07820 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7782901 0.91 ALDH1A1 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL7784933 0.80 GRM5 (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL10591135 0.78 MMP2 (0.41) MAPTMEN1KMT2AMCL1NPC1
SCHEMBL9224754 0.77 VCAM1 (0.37) MAPTMEN1KMT2AMCL1NPC1
SCHEMBL7784857 0.75 MEN1 (0.43) CA12CA1CA2CA9PTPN1
SCHEMBL9518605 0.72 DYRK1A (0.39) MAPTMEN1KMT2AMCL1POLB
SCHEMBL10589530 0.72 VCAM1 (0.42) MAPTMEN1KMT2AMCL1NPC1
SCHEMBL9228244 0.71 ALDH1A1 (0.40) MAPTMEN1KMT2APOLBTDP1
SCHEMBL1180120 0.70 DYRK1A (0.43) MAPTMEN1KMT2AMCL1POLB
SCHEMBL1149000 0.70 ALDH1A1 (0.67) CA12CA1CA2CA9MEN1

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
EP-0801058-B1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID CO (US) 2001-10-10 EP disclosed