SCHEMBL9607591

SCHEMBL9607591

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CFTR P13569 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GUSB P08236 1/20 0.37
F2 P00734 1/20 0.37
C1R P00736 1/20 0.37
KLK3 P07288 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8777275 0.84 CYP1A2 (0.48) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3789674 0.82 PDE10A (0.44) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8776221 0.82 CYP1A2 (0.52) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8777283 0.81 CYP1A2 (0.53) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8776650 0.80 CYP1A2 (0.38) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8777068 0.79 CYP1A2 (0.40) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL8776404 0.79 CYP1A2 (0.46) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8776915 0.79 CYP1A2 (0.42) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8776603 0.79 CYP1A2 (0.40) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL8776607 0.79 CYP1A2 (0.40) CYP1A2MAPTNPC1RAB9ASMN1; SMN2

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
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed