SCHEMBL2013300

SCHEMBL2013300

O=CCc1ccccc1Oc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.40
CCR5 P51681 1/20 0.40
GBA1 P04062 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 7/20 0.38
TDP1 Q9NUW8 2/20 0.38
F10 P00742 1/20 0.37
MAPT P10636 6/20 0.36
GAA P10253 1/20 0.36
HSPB1 P04792 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL5739625 0.85 HPGD (0.55) HPGDL3MBTL1NPC1RAB9ARECQL
SCHEMBL2011752 0.82 NPC1 (0.42) HPGDL3MBTL1NPC1RAB9ARECQL
SCHEMBL405343 0.77 ACHE (0.40) HPGDRAB9ACCR5MAPK1ACHE
SCHEMBL2167807 0.75 CXCL8 (0.42) HPGDL3MBTL1ALDH1A1MAPTGAA
SCHEMBL17506413 0.75 HTR6 (0.54) HPGDL3MBTL1NPC1RAB9ARECQL
SCHEMBL30026729 0.75 HTR6 (0.54) HPGDL3MBTL1NPC1RAB9ARECQL
SCHEMBL11046115 0.74 S100A4 (0.43) RAB9ACCR5MAPK1ACHEALDH1A1
SCHEMBL7258967 0.73 ALDH1A1 (0.53) HPGDL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2013294 0.73 KMT2A (0.55) HPGDL3MBTL1NPC1RAB9AGBA1
SCHEMBL2011750 0.72 L3MBTL1 (0.43) HPGDL3MBTL1NPC1RAB9ARECQL

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