SCHEMBL7270830

SCHEMBL7270830

COc1cc(OC)c(-c2nc3cnccc3[nH]2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
PDE5A O76074 4/20 0.48
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ACHE P22303 1/20 0.43
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RUNX1 Q01196 2/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7271878 0.86 PDE5A (0.57) KDM4EALDH1A1HPGDPDE5AFGFR1
Hydrochloric Acid SCHEMBL7278102 0.84 PDE5A (0.58) KDM4EALDH1A1HPGDPDE5AFGFR1
SCHEMBL7270959 0.84 PDE2A (0.58) KDM4EALDH1A1HPGDPDE5APDE3B
SCHEMBL7272003 0.83 ALDH1A1 (0.51) KDM4EALDH1A1HPGDPDE5AFGFR1
Hydrochloric Acid SCHEMBL7272531 0.83 PDE2A (0.57) KDM4EALDH1A1HPGDPDE5APDE3B
SCHEMBL7281035 0.81 PDE5A (0.55) KDM4EALDH1A1HPGDPDE5APDE3B
Hydrochloric Acid SCHEMBL10844959 0.80 PDE5A (0.56) KDM4EALDH1A1HPGDPDE5APDE3B
Hydrochloric Acid SCHEMBL7272791 0.80 PDE5A (0.56) KDM4EALDH1A1HPGDPDE5APDE3B
SCHEMBL7272579 0.79 PDE5A (0.56) KDM4EALDH1A1HPGDPDE5APDE3B
SCHEMBL10869519 0.78 PDE5A (0.59) KDM4EALDH1A1HPGDPDE5APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904785-A INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
US-4758574-A 2-phenylimidazio (4,5-c) pyridines ELI LILLY AND COMPANY (US) 1988-07-19 US disclosed
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed