SCHEMBL12811336

SCHEMBL12811336

Nc1ccc(Oc2ccc(CCNc3ncnc4nccnc34)c(F)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ THRB P10828 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL12788277 0.87 OPRM1 (0.41) MEN1KMT2AALDH1A1MAP4K4ALOX5AP
SCHEMBL12788280 0.87 THRB (0.41) THRB
SCHEMBL12811456 0.85 KDM4E (0.42) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL12788091 0.80 THRB (0.43) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL12788275 0.80 GRM4 (0.36) RAB9A
SCHEMBL12788320 0.77 LMNA (0.35) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL12788918 0.76 HTT (0.40) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL12811335 0.76 MAPT (0.52) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL13456924 0.73 KDM4E (0.46) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL12811543 0.73 TP53 (0.41) KDM4EMEN1KMT2APOLBHSD17B10

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-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 — — WO disclosed
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