SCHEMBL10596995

SCHEMBL10596995

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

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.80
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
MAPT P10636 3/20 0.80
CYP1A2 P05177 2/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2C9 P11712 2/20 0.80
CYP2C19 P33261 2/20 0.80
LMNA P02545 1/20 0.80
POLB P06746 1/20 0.80
MAPK1 P28482 1/20 0.80
GPR55 Q9Y2T6 1/20 0.80
CYP2D6 P10635 1/20 0.80
TSHR P16473 1/20 0.80
NFKB1 P19838 1/20 0.80
THPO P40225 1/20 0.80
NR3C2 P08235 1/20 0.78
CACNA1F O60840 4/20 0.71
CACNA1D Q01668 4/20 0.71
CACNA1S Q13698 4/20 0.71

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
SCHEMBL6455299 0.95 HIF1A (0.87) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL30648615 0.95 HIF1A (0.87) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL9698949 0.94 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL4661064 0.94 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL10464260 0.94 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9085813 0.92 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9089580 0.92 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9089904 0.92 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9085808 0.92 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL6455316 0.91 MAPT (0.80) HIF1AMEN1KMT2AMAPTCYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966948-A Spasmolytic, vaso-dilating and anti-hypertensive compositions and methods BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
EP-0096299-B1 HYDROXYIMINO AND ALKOXYIMINO DERIVATIVES OF 1,4-DIHYDROPYRIDINE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION THEREFROM Pierrel S.p.A. (IT) 1989-02-01 EP disclosed
US-4508719-A Hydroxyimino and alkoxyimino derivatives of 1,4-dihydropyridine and anti-hypertensive compositions PIERREL S.P.A. (IT) 1985-04-02 US disclosed
EP-0096299-A2 Hydroxyimino and alkoxyimino derivatives of 1,4-dihydropyridine, process for the preparation thereof and pharmaceutical composition therefrom Pierrel S.p.A. (IT) 1983-12-21 EP disclosed
US-3966948-A Spasmolytic, vaso-dilating and anti-hypertensive compositions and methods BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed