SCHEMBL7783637

SCHEMBL7783637

O=[N+]([O-])c1ccc(Sc2cc(C(F)(F)F)[nH]c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.47
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MCL1 Q07820 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSD A5PKW4 3/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPBWR1 P48145 1/20 0.39
PDE7B Q9NP56 3/20 0.39
IDO1 P14902 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL7784864 0.87 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7782884 0.81 MAPT (0.39) PDE7AMAPTMEN1KMT2AALDH1A1
SCHEMBL7778163 0.78 CHEK2 (0.36) MAPTMEN1KMT2A
SCHEMBL161647 0.72 MAPT (0.66) PDE7AMAPTMEN1KMT2APOLB
SCHEMBL8664038 0.72 KDM4E (0.34) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7784803 0.71 VCAM1 (0.43) PDE7AMAPTMEN1KMT2ANPC1
SCHEMBL7765241 0.69 VCAM1 (0.43) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL23407733 0.69 PDE7A (0.68) PDE7AMAPTMEN1KMT2APDE7B
SCHEMBL9629212 0.69 PDE7A (0.56) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL1149232 0.69 PDE7A (0.78) PDE7AMAPTMEN1KMT2AALDH1A1

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