SCHEMBL5338153

SCHEMBL5338153

CCN(c1ccc(Oc2ccc(CC3COC(=O)N3CC)cc2)c(F)c1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.36
TDP2 O95551 1/20 0.33
PGR P06401 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL4500711 1.00 HSPB1 (0.36) HSPB1TDP2PGRGAAL3MBTL1
SCHEMBL4502235 0.93 HSPB1 (0.36) HSPB1TDP2PGRGAAL3MBTL1
SCHEMBL5333522 0.92 HSPB1 (0.36) HSPB1TDP2GAAL3MBTL1ALDH1A1
SCHEMBL4512372 0.92 HSPB1 (0.36) HSPB1TDP2GAAL3MBTL1ALDH1A1
SCHEMBL4234373 0.91 HSPB1 (0.34) HSPB1TDP2
SCHEMBL5333700 0.90 GAA (0.35) HSPB1PGRGAAL3MBTL1ALDH1A1
SCHEMBL4513857 0.90 GAA (0.35) HSPB1PGRGAAL3MBTL1ALDH1A1
SCHEMBL13763359 0.87 PIK3CA (0.31)
SCHEMBL4507020 0.87 RXRA (0.33) L3MBTL1LMNAMAPTRXRA
SCHEMBL5317212 0.87 RXRA (0.33) L3MBTL1LMNAMAPTRXRA

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
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed