SCHEMBL4566690

SCHEMBL4566690

Oc1cc(Br)cc(Br)c1-c1cnc(OCc2cccc(Cl)c2Cl)nn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
AR P10275 1/20 0.31
PNMT P11086 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
SCHEMBL3235983 0.82 IDO1 (0.37) IDO1ALOX5APFEN1GAAMAPT
SCHEMBL3245397 0.78 IDO1 (0.39) IDO1ALOX5APFEN1KMT2AGAA
SCHEMBL3240159 0.68 IDO1 (0.38) IDO1ALOX5APFEN1KMT2AMEN1
SCHEMBL3242799 0.67 SMN1; SMN2 (0.44) KMT2AMEN1
SCHEMBL3237976 0.66 ALDH1A1 (0.37) IDO1KMT2AMEN1MAPTPKM
SCHEMBL3247001 0.65 INPPL1 (0.39) IDO1KMT2APOLBGAAMEN1
SCHEMBL3244047 0.65 CRHBP (0.34) KMT2APOLBGAA
SCHEMBL4330265 0.65 IDO1 (0.37) IDO1ALOX5APFEN1PNMT
SCHEMBL3242221 0.65 CNR1 (0.38) KMT2APOLBMEN1MAPT
SCHEMBL3240374 0.65 KMT2A (0.39) KMT2APOLBMEN1MAPT

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-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed