SCHEMBL8695016

SCHEMBL8695016

CCOC(=O)Nc1cc2c(cc1F)nc(C(F)(F)F)n2Cc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PPARG P37231 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GNRHR P30968 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RORC P51449 1/20 0.40
CDK9 P50750 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
PTGES O14684 1/20 0.39
P2RX3 P56373 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL8697702 0.79 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL8694187 0.78 AGPAT2 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2TP53
SCHEMBL8697086 0.70 L3MBTL1 (0.39) KMT2APPARGALDH1A1MAPTGAA
SCHEMBL13508774 0.70 GNRHR (0.49) PPARGGNRHRRORCTP53
SCHEMBL8696619 0.69 KCNQ2 (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8697452 0.69 BCAT1 (0.43) KMT2APPARG
SCHEMBL14377804 0.68 PPARG (0.49) KMT2AMEN1PPARGALDH1A1MAPT
SCHEMBL8695543 0.68 KCNQ2 (0.41) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL7555717 0.68 CYP1A2 (0.58) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8697756 0.67 ALDH1A1 (0.38) KMT2AALDH1A1MAPTGAANPSR1

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-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed
US-5661108-A CONTROLLING PLANT GROWTH FMC CORPORATION (US) 1997-08-26 US disclosed