SCHEMBL28083080

SCHEMBL28083080

O=C(COc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 6/20 0.56
MAPT P10636 5/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
ENPP2 Q13822 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
RAB9A P51151 1/20 0.46
AGTR1 P30556 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL853577 0.80 KMT2A (0.56) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL544327 0.79 MEN1 (0.59) KMT2AMEN1MAPTMRGPRX4
SCHEMBL9930228 0.78 KMT2A (0.56) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL6321927 0.76 ALOX5 (0.62) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL11454145 0.75 KMT2A (0.63) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL8064713 0.73 NPC1 (0.62) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL5447871 0.73 ALDH1A1 (1.00) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL30152252 0.72 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL31075460 0.72 HTT (0.60) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL447240 0.72 HTT (0.60) KMT2AALDH1A1MEN1MAPTHTT

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
CN-106083612-A A kind of fluorine-containing Triamine monomer and its preparation method and application 湖北大学 2016-11-09 CN claimed
CN-106083612-A A kind of fluorine-containing Triamine monomer and its preparation method and application 湖北大学 2016-11-09 CN disclosed