SCHEMBL7428613

SCHEMBL7428613

CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)CF

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.78
KMT2A Q03164 6/20 0.65
LMNA P02545 6/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.51
NPSR1 Q6W5P4 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
FBP1 P09467 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PPARG P37231 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL7428618 1.00 GLO1 (0.78) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL8018753 0.93 GLO1 (0.90) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL11681247 0.90 GLO1 (0.82) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL7475824 0.88 GLO1 (0.78) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL7475820 0.88 GLO1 (0.78) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL10757963 0.88 GLO1 (0.78) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL6137191 0.88 GLO1 (1.00) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL11776075 0.88 GLO1 (0.82) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL7312484 0.88 GLO1 (1.00) GLO1KMT2ALMNAKDM4EALDH1A1
SCHEMBL29419555 0.88 GLO1 (1.00) GLO1KMT2ALMNAKDM4EALDH1A1

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
US-4607041-A CARDIOTONIC AGENTS FISONS PLC (GB) 1986-08-19 US disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP disclosed