SCHEMBL16369482

SCHEMBL16369482

O=C1CN(c2ccc([N+](=O)[O-])cc2)C(=O)CC1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHBP P24387 1/20 0.40
GFER P55789 1/20 0.40
CRHR2 Q13324 1/20 0.40
PGR P06401 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PSD A5PKW4 1/20 0.36
LIPE Q05469 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
SCHEMBL4549488 0.85 MAPT (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL15698856 0.84 LIPE (0.44) L3MBTL1ALDH1A1LIPE
SCHEMBL11942631 0.75 POLB (0.47) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL693976 0.72 HSPB1 (0.55) MEN1KMT2AMAPTPGRALDH1A1
SCHEMBL11942626 0.72 POLB (0.62) MAPTPGRALDH1A1
SCHEMBL19514086 0.71 MAPT (0.48) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL4549483 0.70 MAPT (0.43) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL1258016 0.70 MAPT (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1242136 0.68 PGR (0.52) MEN1KMT2AMAPTPGRALDH1A1
SCHEMBL1241412 0.68 HSPB1 (0.65) MEN1KMT2ANPC1RAB9AMAPT

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
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed