SCHEMBL7784803

SCHEMBL7784803

N#Cc1cc(Sc2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MCL1 Q07820 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPBWR1 P48145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL7782881 0.88 MAOA (0.51) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL7782891 0.81 ALDH1A1 (0.52) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL7782943 0.79 MAOA (0.46) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL7786212 0.77 PDE7A (0.45) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL7784410 0.77 MAOA (0.43) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL7784857 0.77 MEN1 (0.43) VCAM1MAPTMEN1KMT2ATDP1
SCHEMBL9226666 0.76 VCAM1 (0.49) VCAM1MAOAMAOBMAPTMEN1
SCHEMBL11091201 0.74 MEN1 (0.59) VCAM1MAOAMAOBMAPTMEN1
SCHEMBL161647 0.72 MAPT (0.66) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL7765241 0.71 VCAM1 (0.43) VCAM1MAPTMEN1KMT2APOLB

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 2 patents. 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
EP-0801058-A1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents American Cyanamid Company (US) 1997-10-15 EP disclosed