SCHEMBL27841972

SCHEMBL27841972

CC(=O)OC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ GAA P10253 1/20 0.44

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
SCHEMBL15610865 0.81 KMT2A (0.55) SMN1; SMN2OPRM1OPRD1KMT2AL3MBTL1
SCHEMBL27842003 0.81 EPHX2 (0.40) SMN1; SMN2L3MBTL1MAPTHTTHPGD
SCHEMBL27822931 0.81 LMNA (0.50) SMN1; SMN2KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL27822933 0.81 ALDH1A1 (0.43) SMN1; SMN2KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL1625677 0.79 MAOB (0.47) ALDH1A1MAPTPOLB
SCHEMBL1578801 0.79 ALDH1A1 (0.49) SMN1; SMN2OPRM1OPRD1KMT2AL3MBTL1
SCHEMBL15610864 0.78 KMT2A (0.54) SMN1; SMN2OPRM1OPRD1KMT2AL3MBTL1
SCHEMBL16375025 0.76 KMT2A (0.52) SMN1; SMN2OPRM1OPRD1KMT2AL3MBTL1
SCHEMBL10996751 0.75 MAPT (0.53) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL5067751 0.73 ALDH1A1 (0.57) KMT2AL3MBTL1ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102159535-A Potassium ion channel modulators and uses thereof UNIV RAMOT 2011-08-17 — — CN disclosed
Send feedback