SCHEMBL2011302

SCHEMBL2011302

COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
PELP1 Q8IZL8 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
HSP90AA1 P07900 1/20 0.46
VCAM1 P19320 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL2014620 0.89 ALDH1A1 (0.66) ARPELP1KMT2AMEN1ALDH1A1
SCHEMBL2978081 0.84 AR (0.58) ARPELP1KMT2AMEN1ALDH1A1
SCHEMBL29979942 0.84 AR (0.58) ARPELP1KMT2AMEN1ALDH1A1
SCHEMBL12631069 0.83 MEN1 (0.53) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL30669432 0.83 AR (0.57) ARPELP1KMT2AMEN1ALDH1A1
SCHEMBL8570002 0.83 AR (0.57) ARPELP1KMT2AALDH1A1MAPT
SCHEMBL10318922 0.83 AR (0.57) ARPELP1KMT2AMEN1ALDH1A1
SCHEMBL2013821 0.82 AR (0.58) ARPELP1KMT2AMEN1ALDH1A1
SCHEMBL221362 0.81 AR (0.61) ARPELP1KMT2AMEN1ALDH1A1
SCHEMBL4288702 0.80 AR (0.57) ARPELP1KMT2AALDH1A1VCAM1

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 4 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
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