SCHEMBL1287147

SCHEMBL1287147

CCc1csc(C(CNC(=O)Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
PTPRB P23467 1/20 0.46
MEN1 O00255 3/20 0.45
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR3 P51677 1/20 0.41
GSK3B P49841 1/20 0.39

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
SCHEMBL19837047 0.86 ALDH1A1 (0.39) OPRM1OPRD1KMT2APTPRBMEN1
SCHEMBL3694833 0.84 MEN1 (0.45) OPRM1OPRD1KMT2APTPRBMEN1
SCHEMBL468135 0.83 PTPRB (0.53) KMT2APTPRBMEN1SMN1; SMN2CCR3
SCHEMBL468277 0.82 MMP8 (0.44) KMT2APTPRBMEN1GAAALDH1A1
SCHEMBL468081 0.81 PTPRB (0.69) KMT2APTPRBMEN1CCR3
SCHEMBL684296 0.81 PTPRB (0.69) KMT2APTPRBMEN1CCR3
SCHEMBL1287146 0.81 OPRM1 (0.52) OPRM1OPRD1KMT2AL3MBTL1MEN1
SCHEMBL16059632 0.80 LMNA (0.39) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL679399 0.79 PTPRB (0.39) KMT2APTPRBMEN1MAPTGAA
SCHEMBL16060603 0.79 MMP2 (0.40) KMT2APTPRBMEN1ALDH1A1SMN1; SMN2

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
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
EP-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed