SCHEMBL10352007

SCHEMBL10352007

CCCOc1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
PDK2 Q15119 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL10269779 0.93 THRA (0.48) MAPTPDK2THRATHRBFFAR4
SCHEMBL10352006 0.90 THRA (0.52) MAPTPDK2THRATHRBTP53
SCHEMBL10352020 0.89 THRA (0.54) MAPTPDK2THRATHRBKDM4E
SCHEMBL10352595 0.89 THRA (0.54) MAPTPDK2THRATHRBKDM4E
SCHEMBL10352177 0.89 THRA (0.54) MAPTPDK2THRATHRBKDM4E
SCHEMBL10352179 0.87 MAPT (0.51) MAPTPDK2THRATHRBPTPN7
SCHEMBL4230857 0.86 KMT2A (0.54) MAPTPDK2FFAR4MEN1KMT2A
SCHEMBL10352175 0.86 NCF1 (0.50) MAPTTHRATHRBFFAR4MEN1
SCHEMBL10352711 0.85 FFAR4 (0.43) MAPTTHRATHRBFFAR4MEN1
Hydrochloric Acid SCHEMBL185985 0.85 KMT2A (0.53) MAPTPDK2FFAR4MEN1KMT2A

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
EP-0300390-B1 TRIFLUOROMETHYL-ALKOXY-ANILIN, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE ICE-COLOUR TECHNIQUE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
EP-0300390-A1 Trifluoromethyl-alkoxy-anilin, process for their preparation and their use in the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed