SCHEMBL7300416

SCHEMBL7300416

CC1=C(C(=O)Cl)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
CYP1A2 P05177 4/20 0.74
CYP3A4 P08684 4/20 0.74
CYP2C9 P11712 4/20 0.74
CYP2C19 P33261 4/20 0.74
KMT2A Q03164 4/20 0.74
LMNA P02545 3/20 0.74
MAPT P10636 3/20 0.74
CYP2D6 P10635 2/20 0.74
TSHR P16473 2/20 0.74
NFKB1 P19838 2/20 0.74
THPO P40225 2/20 0.74
CACNA1C Q13936 7/20 0.69
CACNA1F O60840 6/20 0.69
CACNA1D Q01668 6/20 0.69
CACNA1S Q13698 6/20 0.69
ADORA3 P0DMS8 2/20 0.68
NR1I2 O75469 1/20 0.68
NR3C1 P04150 1/20 0.68
ABCB1 P08183 1/20 0.68

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
SCHEMBL11011759 0.94 MEN1 (0.82) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7159699 0.90 ADORA3 (0.81) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7272138 0.90 MEN1 (0.76) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7266605 0.90 MEN1 (0.76) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30357961 0.90 ADORA3 (0.81) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7421240 0.90 MEN1 (0.76) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7300438 0.89 MEN1 (0.74) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2965385 0.89 HIF1A (0.78) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15470499 0.89 HIF1A (0.78) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10686311 0.89 HIF1A (0.78) MEN1CYP1A2CYP3A4CYP2C9CYP2C19

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