SCHEMBL7379936

SCHEMBL7379936

C=CCOc1ccccc1C1C(C(=O)OCC)=C(C)NC(C#N)=C1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 4/20 0.47
LMNA P02545 3/20 0.47
CASP1 P29466 2/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL7374071 0.86 NR1I2 (0.46) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL7382740 0.84 MAPT (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7379388 0.84 SLC6A2 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7379723 0.82 KDM4E (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11830234 0.80 POLB (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7373125 0.79 CYP2C9 (0.60) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17371182 0.79 KDM4E (0.60) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11780154 0.78 KMT2A (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7383137 0.78 ADORA3 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7374069 0.77 CACNA1F (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US claimed
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed