SCHEMBL9115133

SCHEMBL9115133

COc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
GRM2 Q14416 1/20 0.35
CPS1 P31327 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
PTGS2 P35354 1/20 0.34
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
GRM1 Q13255 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
GRM8 O00222 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRM7 Q14831 1/20 0.34
GRM5 P41594 1/20 0.34
EPHX2 P34913 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
SCHEMBL7951685 0.84 L3MBTL1 (0.40) LMNARXFP1PTGS2BCAT2BCAT1
SCHEMBL8914465 0.83 BCAT1 (0.37) BCAT2BCAT1GRM8CYP1A2GRM7
SCHEMBL8899310 0.83 NPSR1 (0.36) SMN1; SMN2RAB9AGAARXFP1BCAT2
SCHEMBL24241965 0.82 MAP2K1 (0.35) RXFP1
SCHEMBL9114198 0.82 ESR1 (0.40) RXFP1
SCHEMBL7562176 0.82 HSD11B1 (0.36) LMNAGAACYP1A2
SCHEMBL9338931 0.82 ALDH1A1 (0.34) LMNAALDH1A1RXFP1MAPT
SCHEMBL7893270 0.82 RXFP1 (0.46) SMN1; SMN2ALDH1A1RXFP1MAPTHTT
SCHEMBL7557543 0.81 GSK3A (0.46) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL9114664 0.80 MAOB (0.47)

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
WO-1995017096-A1 HERBICIDAL HALOALKYLURACILS FMC CORPORATION (US) 1995-06-29 WO disclosed
US-5399543-A Chemical intermediates for the herbicides also claimed. FMC CORPORATION (US) 1995-03-21 US disclosed