SCHEMBL9531402

SCHEMBL9531402

CCCCc1nc([N+](=O)[O-])c(C(C(=O)OC)c2ccc(OCc3ccc(C(=O)O)cc3)cc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.43
RXRB P28702 5/20 0.43
PLA2G4B P0C869 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
MAOB P27338 1/20 0.38
NR4A2 P43354 4/20 0.37
KMT2A Q03164 2/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9530752 0.93 RXRA (0.45) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL9532189 0.75 RXRA (0.44) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL1123143 0.69 RXRA (0.72) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL9531287 0.67 RXRA (0.47) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL10789890 0.66 RXRA (0.70) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL18521456 0.65 RARB (0.68) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL18521452 0.65 RARB (0.68) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL11358158 0.65 RARB (0.68) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL15282049 0.65 PLA2G4B (0.87) RXRARXRBPLA2G4BNPC1POLB
SCHEMBL9372929 0.64 RXRA (0.77) RXRARXRBPLA2G4BNPC1POLB

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
EP-0515548-A4 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-03-10 EP disclosed
EP-0515548-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed