SCHEMBL8960296

SCHEMBL8960296

C#CCOc1cc(-n2cnc(C(F)(F)F)cc2=O)c(F)cc1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
G6PD P11413 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOB P27338 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
SCHEMBL8960098 0.83 POLB (0.31) MAPT
SCHEMBL8960424 0.80 PPOX (0.33) ALDH1A1
SCHEMBL7085889 0.69 TRPV4 (0.37) ALDH1A1
SCHEMBL10533721 0.66 PGK1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL10530077 0.66 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL8960336 0.66 POLB (0.33) ALDH1A1KDM4EMAPT
SCHEMBL9581391 0.65 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10530882 0.65 PGK1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL16830345 0.65 PKM (0.34) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8960188 0.64 HCAR1 (0.36) ALDH1A1KDM4EMEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532208-A HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5366955-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0568041-A1 Pyrimidone derivatives and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-03 EP disclosed