SCHEMBL8083345

SCHEMBL8083345

Nc1c(OC(F)(F)F)ccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.35
SLC1A5 Q15758 2/20 0.34
NOTUM Q6P988 2/20 0.34
GRIA1 P42261 2/20 0.33
CACNG8 Q8WXS5 2/20 0.33
KMO O15229 2/20 0.33
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE2A O00408 1/20 0.32
PGK1 P00558 1/20 0.31
EPHX2 P34913 1/20 0.31
SCN9A Q15858 1/20 0.31
EPHX1 P07099 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
SCHEMBL10708527 0.81 NOTUM (0.36) GRIN2BSLC1A5NOTUMGRIA1CACNG8
SCHEMBL23925112 0.81 PTGER4 (0.35) SLC1A5PDE2A
SCHEMBL28056275 0.81 GRIN2B (0.36) GRIN2BSLC1A5NOTUMKMOPDE2A
SCHEMBL30064335 0.81 PTGER4 (0.35) SLC1A5PDE2A
SCHEMBL10934709 0.76 NOTUM (0.42) GRIN2BSLC1A5NOTUMGRIA1CACNG8
SCHEMBL21603543 0.76 GRIA1 (0.42) GRIN2BGRIA1CACNG8P2RX7
SCHEMBL29778856 0.76 GRIA1 (0.42) GRIN2BGRIA1CACNG8P2RX7
SCHEMBL29721858 0.75 AKR1C2 (0.40) KMOL3MBTL1EPHX2SCN9A
SCHEMBL29006785 0.75 AKR1C2 (0.40) KMOL3MBTL1EPHX2SCN9A
SCHEMBL29917977 0.75 KMO (0.42) KMOEPHX2SCN9AEPHX1

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-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
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