SCHEMBL8167884

SCHEMBL8167884

COc1cc(OC)c(C(F)(F)F)cc1N(C(N)=O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PLAU P00749 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 1/20 0.34
KDR P35968 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
RORC P51449 1/20 0.33
MAPK1 P28482 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
SCHEMBL27492040 0.87 HTR2A (0.39) ALDH1A1MAPTSMN1; SMN2HTR2AHTR2C
SCHEMBL13388545 0.82 MAPT (0.43) ALDH1A1MAPTHPGDCTNNB1WNT3A
SCHEMBL13388590 0.78 KMT2A (0.47) ALDH1A1MAPTHPGDPLAUCTNNB1
SCHEMBL7260687 0.76 SGPL1 (0.37) ALDH1A1MAPTSMN1; SMN2HPGDHTR2A
SCHEMBL7256224 0.76 SMN1; SMN2 (0.33) ALDH1A1MAPTSMN1; SMN2HPGDHTR2A
SCHEMBL13388515 0.76 HPGD (0.47) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL6037560 0.76 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL7261707 0.75 CTSA (0.37) ALDH1A1SMN1; SMN2HTR2AHTR2CKMT2A
SCHEMBL7255973 0.74 CYP2C9 (0.36) SMN1; SMN2HTR2AHTR2CKMT2AHTT
SCHEMBL6364181 0.72 POLQ (0.41) MAPTGPBAR1

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-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 EP disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed