SCHEMBL8525560

SCHEMBL8525560

O=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 2/20 0.50
TLR7 Q9NYK1 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.44
KDM4A O75164 1/20 0.44
USP2 O75604 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
GAA P10253 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL8566733 0.83 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL6802264 0.80 BCAT2 (0.42) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL28052100 0.77 DAO (0.45) TLR7KMT2ATSHRMEN1
SCHEMBL29115280 0.76 HPGD (0.60) ALDH1A1HPGDMAPTTLR7CYP3A4
SCHEMBL319866 0.76 KMT2A (0.73) ALDH1A1HPGDMAPTCYP3A4KDM4E
SCHEMBL10696215 0.76 HSP90AA1 (0.43) ALDH1A1KDM4EKMT2A
SCHEMBL11785182 0.75 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10TSHRSMN1; SMN2
SCHEMBL6243233 0.75 KMT2A (0.55) ALDH1A1HPGDMAPTTLR7CYP3A4
SCHEMBL1944831 0.75 ALDH1A1 (0.63) ALDH1A1HPGDMAPTTLR7CYP3A4
SCHEMBL9756675 0.74 ALDH1A1 (0.49) ALDH1A1CYP3A4KDM4EKMT2AHSD17B10

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
US-5919732-A Herbicidal 3-arylamino-6-trifluoromethyluracils HOECHST SCHERING AGREVO GMBH (DE) 1999-07-06 US disclosed
WO-1998034924-A1 HERBICIDAL 3-ARYLAMINO-6-TRIFLUOROMETHYL URACYLS HOECHST SCHERING AGREVO GMBH (DE) 1998-08-13 WO disclosed