SCHEMBL7300426

SCHEMBL7300426

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
LMNA P02545 2/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56
MAPT P10636 1/20 0.56
PYGL P06737 1/20 0.55
PYGM P11217 1/20 0.55
NR1I2 O75469 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
AGTR1 P30556 2/20 0.54
PDE4D Q08499 2/20 0.54
NR3C1 P04150 1/20 0.54
ABCB1 P08183 1/20 0.54

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
SCHEMBL4655142 0.89 MAPT (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9401939 0.87 CACNA1F (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7448031 0.84 CYP1A2 (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL29926641 0.84 CYP1A2 (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11688678 0.84 CYP1A2 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7400360 0.84 CYP1A2 (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11688660 0.84 CYP1A2 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7272138 0.83 MEN1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7421240 0.83 MEN1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7266605 0.83 MEN1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP disclosed