SCHEMBL2013294

SCHEMBL2013294

CC(=O)c1ccccc1Oc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 5/20 0.48
F10 P00742 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GBA1 P04062 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.41
ESR2 Q92731 1/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL5739618 0.84 L3MBTL1 (0.61) KMT2AL3MBTL1POLBMEN1MAPT
SCHEMBL10171014 0.79 TDP1 (0.48) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL2011750 0.78 L3MBTL1 (0.43) KMT2AL3MBTL1POLBMEN1MAPT
SCHEMBL8075197 0.77 HPSE (0.55) KMT2AL3MBTL1POLBMEN1MAPT
SCHEMBL1367387 0.77 L3MBTL1 (0.52) KMT2AL3MBTL1POLBMEN1MAPT
SCHEMBL8077126 0.77 MAPT (0.48) KMT2AL3MBTL1POLBMEN1MAPT
SCHEMBL1890689 0.77 MAPT (0.51) KMT2AMEN1MAPTF10RAB9A
SCHEMBL9658168 0.76 ALDH1A1 (0.51) KMT2AL3MBTL1POLBMEN1MAPT
SCHEMBL9853813 0.76 KMT2A (0.49) KMT2AL3MBTL1POLBMEN1MAPT
SCHEMBL25294499 0.76 CFD (0.43) KMT2APOLBMEN1MAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073273-A1 BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed
WO-2011073276-A1 BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed