SCHEMBL10749067

SCHEMBL10749067

O=C(NC(=O)c1ccc(F)cc1Cl)Nc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 9/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
WDR5 P61964 1/20 0.45
GCGR P47871 1/20 0.44
NPC1 O15118 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL8657600 0.83 MEN1 (0.52) PYGLKMT2AMEN1GAAPKM
SCHEMBL10744999 0.82 PYGL (0.55) PYGLGCGR
SCHEMBL11832824 0.79 KMT2A (0.61) KMT2AMEN1GAAPKMMAPT
SCHEMBL10746567 0.77 PYGL (0.64) PYGLMAPTRAB9ASMN1; SMN2GCGR
SCHEMBL9688240 0.77 MAPT (0.60) PYGLKMT2AMEN1GAAMAPT
SCHEMBL11832770 0.77 KMT2A (0.57) KMT2AMEN1GAAPKMMAPT
SCHEMBL11839070 0.77 KMT2A (0.57) KMT2AMEN1GAAPKMMAPT
SCHEMBL11836660 0.75 KMT2A (0.55) KMT2AMEN1GAAPKMMAPT
SCHEMBL9135999 0.75 GCGR (0.58) PYGLKMT2AMEN1GAAPKM
SCHEMBL11824796 0.74 KMT2A (0.54) KMT2AMEN1GAAPKMMAPT

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
US-4711905-A 2,4-dihalogenobenzoyl-(thio)urea insecticides BAYER AKTIENGESELLSCHAFT (DE) 1987-12-08 US claimed