SCHEMBL7081702

SCHEMBL7081702

O=[N+]([O-])c1c(Cl)cccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
HPGD P15428 1/20 0.42
GRIA1 P42261 6/20 0.41
CACNG8 Q8WXS5 6/20 0.41
EPAS1 Q99814 1/20 0.40
P2RY6 Q15077 2/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNG2 Q9Y698 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL11489993 0.85 TLR8 (0.45) TLR8HPGDEPAS1GRIN2DGRIN3B
SCHEMBL1459508 0.81 GPR35 (0.49) HPGDAKR1C3AKR1C2ALDH1A1TSHR
SCHEMBL10524671 0.81 MAPT (0.40) EPAS1AKR1C3AKR1C2ALDH1A1TSHR
SCHEMBL11497261 0.80 HPGD (0.58) TLR8HPGDEPAS1GRIN2DGRIN3B
SCHEMBL26922160 0.80 AKR1C3 (0.36) EPAS1AKR1C3AKR1C2ALDH1A1TSHR
SCHEMBL7082751 0.80 ALDH1A1 (0.39) EPAS1AKR1C3AKR1C2ALDH1A1TDP1
SCHEMBL16958356 0.80 ALDH1A1 (0.58) HPGDAKR1C3AKR1C2ALDH1A1TSHR
SCHEMBL8083183 0.80 TSHR (0.44) HPGDGRIA1CACNG8EPAS1GRIN2D
SCHEMBL16958353 0.80 AKR1C3 (0.36) EPAS1AKR1C3AKR1C2ALDH1A1TSHR
SCHEMBL102120 0.79 TDP1 (0.53) TLR8HPGDALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984920-B1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA CHIMIE SA (FR) 2003-07-16 EP disclosed
WO-2001077062-A1 METHOD FOR PRODUCING 4-BROMO- AND 4-CHLORO-2-NITRO-1-TRIFLUOROMETHOXYBENZENE BAYER AKTIENGESELLSCHAFT (DE) 2001-10-18 WO disclosed
US-6121492-A Method for preparing 2-trifluoro-methoxy-aniline RHODIA CHIMIE (FR) 2000-09-19 US disclosed
EP-0984920-A1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA CHIMIE (FR) 2000-03-15 EP disclosed
WO-1998054121-A1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA-CHIMIE (FR) 1998-12-03 WO disclosed
US-4259532-A TRIFLUOROMETHOXYHALOPHENOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-31 US disclosed
US-4192669-A DERIVATIVES OF 2-(4-(4-(TRIFLUOROMETHOXY)-PHENOXY)PHENOXY)AALKANOIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-11 US disclosed