Trifluoromethylbenzene

Trifluoromethylbenzene

SCHEMBL28797174

FC(F)(F)c1ccccc1.Nc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
NFKB1 P19838 1/20 0.50
LMNA P02545 2/20 0.49
IDH2 P48735 1/20 0.49
CDK9 P50750 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
KDR P35968 1/20 0.47

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
Chlorazanil SCHEMBL28051331 0.83 KDR (0.72) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL28797172 0.83 APP (0.59) APPMAPTMEN1KMT2AMAPK1
Trifluoromethylbenzene SCHEMBL27916783 0.82 LMNA (0.50) APPMAPTMEN1KMT2AMAPK1
Trifluoromethylbenzene SCHEMBL28815330 0.80 ALDH1A1 (0.54) APPMAPTMAPK1LMNAIDH2
SCHEMBL28051439 0.78 LMNA (0.55) MAPTLMNAIDH2NPC1RAB9A
SCHEMBL5466853 0.78 APP (0.60) APPMAPTMEN1KMT2AMAPK1
Trifluoromethylbenzene SCHEMBL27935510 0.77 LMNA (0.47) APPMAPTKMT2AMAPK1NFKB1
SCHEMBL3499751 0.76 MAPT (0.85) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL2452956 0.76 ADORA3 (0.68) MAPTMEN1KMT2AMAPK1CDK9
SCHEMBL1401381 0.75 MAPT (0.56) MAPTMEN1KMT2AMAPK1NFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102442960-B Cyanuric chloride derivative as well as preparation method and application thereof WUHAN INST TECHNOLOGY 2014-12-24 CN claimed
CN-102442960-A Cyanuric chloride derivative and preparation method and application thereof WUHAN INST TECHNOLOGY 2012-05-09 CN claimed
CN-102442960-B Cyanuric chloride derivative as well as preparation method and application thereof WUHAN INST TECHNOLOGY 2014-12-24 CN disclosed
CN-102442960-A Cyanuric chloride derivative and preparation method and application thereof WUHAN INST TECHNOLOGY 2012-05-09 CN disclosed