SCHEMBL7304362

SCHEMBL7304362

COC(=O)Oc1cccc2nc(-c3ccccc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.56
MTNR1A P48039 5/20 0.53
MTNR1B P49286 5/20 0.53
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 3/20 0.49
CETP P11597 2/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK10 P53779 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTR3A P46098 1/20 0.46
ELANE P08246 1/20 0.46
CEPT1 Q9Y6K0 1/20 0.45
F2 P00734 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
SCHEMBL2137383 0.82 DHODH (0.54) DHODHMTNR1AMTNR1BKDM4EHPGD
SCHEMBL9126988 0.78 DHODH (0.70) DHODHMTNR1AMTNR1BKDM4EHPGD
SCHEMBL30594910 0.75 DHODH (0.54) DHODHMTNR1AMTNR1BKDM4EHPGD
SCHEMBL17254731 0.74 MAPT (0.72) KDM4EHPGDALDH1A1MAPTKMT2A
SCHEMBL121400 0.74 DHODH (0.94) DHODHMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL16383807 0.73 DHODH (0.76) DHODHMTNR1AMTNR1BKDM4ECETP
SCHEMBL29728160 0.72 DHODH (0.56) DHODHMTNR1AMTNR1BKDM4EHPGD
SCHEMBL31711580 0.72 DHODH (0.60) DHODHMTNR1AMTNR1BKDM4EHPGD
SCHEMBL505539 0.72 DHODH (1.00) DHODHMTNR1AMTNR1BKDM4ECETP
SCHEMBL31737306 0.71 DHODH (0.72) DHODHMTNR1AMTNR1BCETPALDH1A1

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
EP-0450420-B1 Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments BAYER AG (DE) 1994-09-21 EP disclosed
EP-0450420-A2 Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments BAYER AG (DE) 1991-10-09 EP disclosed