SCHEMBL9833636

SCHEMBL9833636

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
HIF1A Q16665 3/20 0.74
MAPT P10636 3/20 0.74
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
LMNA P02545 1/20 0.74
POLB P06746 1/20 0.74
MAPK1 P28482 1/20 0.74
GPR55 Q9Y2T6 1/20 0.74
CYP2D6 P10635 1/20 0.74
TSHR P16473 1/20 0.74
NFKB1 P19838 1/20 0.74
THPO P40225 1/20 0.74
CACNA1B Q00975 2/20 0.67
CACNA1C Q13936 4/20 0.67
CACNA1F O60840 3/20 0.67
CACNA1D Q01668 3/20 0.67

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
SCHEMBL9833643 1.00 MEN1 (0.74) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9833218 0.96 CACNA1C (0.72) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9833214 0.96 CACNA1C (0.72) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9832526 0.94 CACNA1B (0.69) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9832530 0.94 CACNA1B (0.69) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9832509 0.94 CACNA1C (0.77) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9832517 0.94 CACNA1C (0.77) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9832336 0.93 CACNA1C (0.78) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9832330 0.93 CACNA1C (0.78) MEN1KMT2AHIF1AMAPTCYP1A2
SCHEMBL9831371 0.93 HIF1A (0.77) MEN1KMT2AHIF1AMAPTCYP1A2

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
JP-61007255-A None JP disclosed
EP-0161877-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1991-05-29 EP disclosed
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 US disclosed
JP-S617255-A 1,4-DIHYDROPYRIDINE DERIVATIVE FUJIREBIO INC 1986-01-13 JP disclosed
EP-0161877-A2 1,4-dihydropyridine derivatives, methods for their production and pharmaceutical compositions comprising the same FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1985-11-21 EP disclosed