SCHEMBL3359614

SCHEMBL3359614

O=C(Nc1ccccc1Br)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
HTT P42858 4/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
ALDH1A1 P00352 7/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 2/20 0.51
RAD51 Q06609 1/20 0.50
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
ATM Q13315 1/20 0.49
MAOB P27338 1/20 0.49
EGFR P00533 1/20 0.49
THRB P10828 1/20 0.47

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
SCHEMBL8154848 0.80 TRPV1 (0.66) KMT2AHTTRAB9AMEN1NPC1
SCHEMBL1641651 0.80 KMT2A (0.55) KMT2AHTTRAB9AMEN1NPC1
SCHEMBL1189089 0.79 HTT (0.55) KMT2AHTTRAB9AMEN1NPC1
SCHEMBL7501046 0.79 HTT (0.55) KMT2AHTTRAB9AMEN1NPC1
SCHEMBL13462392 0.79 ALDH1A1 (0.55) KMT2AHTTRAB9AMEN1NPC1
SCHEMBL7209828 0.79 KMT2A (0.54) KMT2AHTTRAB9AMEN1NPC1
SCHEMBL3984621 0.79 MEN1 (0.82) KMT2AHTTRAB9AMEN1NPC1
SCHEMBL11076373 0.79 KMT2A (0.58) KMT2AHTTRAB9AMEN1NPC1
SCHEMBL29659875 0.79 ALDH1A1 (0.57) KMT2ARAB9AMEN1NPC1NPSR1
SCHEMBL10356846 0.79 RAB9A (0.81) KMT2ARAB9AMEN1NPC1NPSR1

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-2010023512-A1 NOVEL VANILLOID RECEPTOR MODULATORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LABORATORIES LTD. (IN) 2010-03-04 WO disclosed