SCHEMBL2011750

SCHEMBL2011750

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
GBA1 P04062 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 2/20 0.37
ESR2 Q92731 1/20 0.37
F10 P00742 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL2013294 0.78 KMT2A (0.55) L3MBTL1ALDH1A1TDP1HPGDNPC1
SCHEMBL12572189 0.77 S100A4 (0.40) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL1890141 0.77 S100A4 (0.40) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL2011606 0.77 P2RX3 (0.37) L3MBTL1ALDH1A1TDP1HPGDMAPK1
SCHEMBL17506413 0.75 HTR6 (0.54) L3MBTL1ALDH1A1TDP1HPGDNPC1
SCHEMBL30026729 0.75 HTR6 (0.54) L3MBTL1ALDH1A1TDP1HPGDNPC1
SCHEMBL2011752 0.74 NPC1 (0.42) L3MBTL1ALDH1A1TDP1HPGDNPC1
SCHEMBL27839175 0.74 PDK1 (0.44) ALDH1A1RAB9AMAPK1LMNAMEN1
SCHEMBL4440523 0.73 P2RX3 (0.42) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL29509060 0.73 PDK1 (0.47) L3MBTL1ALDH1A1TDP1NPC1RAB9A

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