SCHEMBL9677331

SCHEMBL9677331

Cc1cc(N)c(N)cc1OC(F)(F)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CD44 P16070 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL9073600 0.79 POLB (0.40) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL9447605 0.78 MEN1 (0.35) ALDH1A1KDM4EMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL10498225 0.78 POLB (0.42) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL9367201 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL10850560 0.78 KDM4E (0.44) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL9675276 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL9447488 0.77 POLB (0.35) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL9447545 0.77 GAA (0.38) ALDH1A1CD44KDM4EMEN1LMNA
SCHEMBL10497833 0.76 CD44 (0.33) CD44CYP3A4TSHRMAPK1
SCHEMBL9688543 0.74 CD44 (0.38) ALDH1A1CD44MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251014-B1 2-TRIFLUOROMETHYL BENZIMIDAZOLES BAYER AG (DE) 1992-05-20 EP disclosed
US-4886516-A Diaminotetrafluoroethoxybenzenes, process for producing same and hair coloring agents containing same WELLA AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
US-4845294-A COUPLERS IN OXIDATIVE HAIR COLORING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4767444-A Herbicidal and microbiocidal 2-trifluoromethyl-benzimidazoles BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
EP-0251013-A2 Fluorine containing o-aminophenols BAYER AG (DE) 1988-01-07 EP disclosed