SCHEMBL8697133

SCHEMBL8697133

O=c1cc(C(F)(F)F)n(CCc2ccc(Cl)cc2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DAO P14920 4/20 0.45
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
FABP4 P15090 2/20 0.41
GPR84 Q9NQS5 2/20 0.41
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8578072 0.79 KMT2A (0.76) KMT2AL3MBTL1DAOLMNAHTT
SCHEMBL29115280 0.76 HPGD (0.60) KMT2AL3MBTL1FABP4SMN1; SMN2ALDH1A1
SCHEMBL8019843 0.73 KDM4E (0.45) KMT2ALMNAGPR84ALDH1A1MEN1
SCHEMBL8803221 0.71 ALDH1A1 (0.45) KMT2ALMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL10048200 0.70 LMNA (0.54) KMT2AL3MBTL1LMNAHTTGPR84
SCHEMBL7679940 0.68 ALDH1A1 (0.77) KMT2AL3MBTL1LMNAHTTMTNR1A
SCHEMBL8581796 0.68 DAO (0.55) KMT2AL3MBTL1DAOLMNAHTT
SCHEMBL8698658 0.68 DAO (0.49) KMT2ADAOLMNAALDH1A1HPGD
SCHEMBL8129531 0.68 HCAR1 (0.38) KMT2AL3MBTL1LMNAHTTFABP4
SCHEMBL1527275 0.67 LMNA (0.40) KMT2ALMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998040362-A1 SUBSTITUTED ARYLALKYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed