SCHEMBL9433683

SCHEMBL9433683

COC(=O)C1=C(C)NC(C)=C(c2ccccc2F)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
CYP1A2 P05177 4/20 0.66
CYP3A4 P08684 4/20 0.66
CYP2C9 P11712 4/20 0.66
CYP2C19 P33261 4/20 0.66
HIF1A Q16665 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
LMNA P02545 3/20 0.66
CYP2D6 P10635 3/20 0.66
TSHR P16473 2/20 0.66
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.66
GPR55 Q9Y2T6 1/20 0.66
NFKB1 P19838 1/20 0.66
THPO P40225 1/20 0.66
NR3C2 P08235 1/20 0.64
CACNA1C Q13936 3/20 0.59
ADORA3 P0DMS8 3/20 0.59
CACNA1F O60840 2/20 0.59

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
SCHEMBL9434121 0.88 NR3C2 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9434535 0.87 HIF1A (0.63) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30648615 0.85 HIF1A (0.87) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6455299 0.85 HIF1A (0.87) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9698949 0.84 HIF1A (0.85) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4661064 0.84 HIF1A (0.85) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10464260 0.84 HIF1A (0.85) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9434589 0.84 HIF1A (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9433675 0.83 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9433758 0.83 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed