SCHEMBL8083183

SCHEMBL8083183

O=[N+]([O-])c1c(OC(F)(F)F)ccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
EPAS1 Q99814 2/20 0.43
VEGFA P15692 1/20 0.42
TDP1 Q9NUW8 4/20 0.42
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL7081702 0.80 TLR8 (0.44) TSHREPAS1TDP1ALDH1A1HPGD
SCHEMBL10979888 0.79 TDP1 (0.50) TSHRTDP1ALDH1A1HPGDCYP3A4
SCHEMBL28302342 0.78 EPAS1 (0.39) TSHREPAS1VEGFATDP1ALDH1A1
SCHEMBL11333931 0.75 TSHR (0.46) TSHREPAS1VEGFATDP1ALDH1A1
SCHEMBL10708527 0.74 NOTUM (0.36) CYP3A4GRIN2BNOTUMGRIA1CACNG8
SCHEMBL9350046 0.74 TSHR (0.48) TSHREPAS1VEGFATDP1ALDH1A1
SCHEMBL10980919 0.73 TSHR (0.62) TSHRTDP1ALDH1A1HSD17B10GRIN2D
SCHEMBL7686888 0.73 HSD17B10 (0.55) ALDH1A1HPGDCYP3A4HSD17B10MEN1
SCHEMBL11047126 0.72 TDP1 (0.56) TSHREPAS1VEGFATDP1ALDH1A1
SCHEMBL16175252 0.71 TSHR (0.41) TSHREPAS1VEGFATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820981-B1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 2000-10-18 EP claimed
US-5840983-A Process for preparing 2-trifluoromethoxy-aniline BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US claimed
EP-0820981-A1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 1998-01-28 EP claimed
EP-0820981-B1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 2000-10-18 EP disclosed
US-5840983-A Process for preparing 2-trifluoromethoxy-aniline BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5840983-A Process for preparing 2-trifluoromethoxy-aniline BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
EP-0820981-A1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 1998-01-28 EP disclosed
EP-0820981-A1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 1998-01-28 EP disclosed