SCHEMBL9876232

SCHEMBL9876232

N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
KDR P35968 1/20 0.41
APP P05067 1/20 0.41
POLB P06746 2/20 0.41
MCL1 Q07820 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IKBKB O14920 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHODH Q02127 1/20 0.39
RAD51 Q06609 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL7508787 0.86 MAPT (0.44) MAPTRAB9ANPC1APPPOLB
SCHEMBL10605588 0.80 MAPT (0.46) MAPTRAB9ANPC1APPPOLB
SCHEMBL6026704 0.78 MAPT (0.49) MAPTRAB9ANPC1APPPOLB
SCHEMBL8017036 0.78 MAPT (0.51) MAPTRAB9ANPC1APPPOLB
SCHEMBL10605524 0.76 MAPT (0.49) MAPTRAB9ANPC1APPPOLB
SCHEMBL10602903 0.76 MAPT (0.46) MAPTRAB9ANPC1APPPOLB
SCHEMBL1665480 0.76 MAPT (0.54) MAPTRAB9ANPC1APPPOLB
SCHEMBL8744832 0.76 MCL1 (0.42) MAPTRAB9AMCL1ALDH1A1L3MBTL1
SCHEMBL8744752 0.76 ERBB2 (0.41) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL7432291 0.75 ADORA2A (0.41) MAPTRAB9APOLBMCL1ALDH1A1

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
US-5045557-A Imidazable fungicides and use thereof SCHERING AGROCHEMICALS LTD. (GB) 1991-09-03 US disclosed
EP-0284277-A1 Cyanoimidazole fungicides AgrEvo UK Limited (GB) 1988-09-28 EP disclosed