SCHEMBL11570570

SCHEMBL11570570

O=[N+]([O-])Nc1ccccc1C(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CASP7 P55210 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 1/20 0.31
CYP1A2 P05177 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
PHLPP2 Q6ZVD8 1/20 0.31

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
SCHEMBL11570029 0.81 ALDH1A1 (0.34) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL9784421 0.80 PDK1 (0.34)
SCHEMBL6852072 0.74 RAB9A (0.47) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL11570621 0.73 HTT (0.51) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL45337 0.69 MAPT (0.47) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL11045869 0.69 MEN1 (0.43) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL2333439 0.69 HSD17B10 (0.48) ALDH1A1TDP1KMT2ALMNAGAA
SCHEMBL950729 0.69 MAPK1 (0.60) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL10686074 0.69 CYP1A2 (0.53) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL30335 0.69 NPC1 (0.49) MAPK1TDP1L3MBTL1MEN1KMT2A

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-0003880-A1 Substituted phenylnitramines with plant growth regulating properties AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP claimed