SCHEMBL21186229

SCHEMBL21186229

Nc1ccc(Oc2ccc(F)cc2Cl)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
KDM4E B2RXH2 5/20 0.58
POLB P06746 2/20 0.50
ALOX5AP P20292 2/20 0.49
FEN1 P39748 2/20 0.49
KEAP1 Q14145 1/20 0.49
HSPB1 P04792 1/20 0.44
ALDH1A1 P00352 1/20 0.42
BRCA1 P38398 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A4 P31645 1/20 0.40
MAP4K4 O95819 1/20 0.39
DHFR P00374 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15921050 0.84 MEN1 (0.71) KMT2AMEN1KDM4EPOLBALOX5AP
SCHEMBL1200417 0.84 KDM4E (0.52) KMT2AMEN1KDM4EPOLBKEAP1
SCHEMBL22453575 0.82 KMT2A (0.49) KMT2AMEN1KDM4EPOLBALOX5AP
SCHEMBL4070182 0.82 KEAP1 (0.60) KMT2AMEN1KDM4EPOLBALOX5AP
SCHEMBL16792569 0.81 MEN1 (0.71) KMT2AMEN1KDM4EPOLBALOX5AP
SCHEMBL22453573 0.81 KMT2A (0.58) KMT2AMEN1KDM4EPOLBKEAP1
SCHEMBL23720010 0.81 KMT2A (0.66) KMT2AMEN1KDM4EPOLBALOX5AP
SCHEMBL31683886 0.81 KMT2A (0.66) KMT2AMEN1KDM4EPOLBALOX5AP
SCHEMBL22453568 0.79 KDM4E (0.51) KMT2AMEN1KDM4EPOLBALOX5AP
SCHEMBL25500799 0.78 KDM4E (0.50) KMT2AMEN1KDM4EPOLBKEAP1

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed