SCHEMBL7277783

SCHEMBL7277783

CCOc1ccc([S+](C)[O-])cc1-c1nc2cnccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.41
PDE10A Q9Y233 2/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GUSB P08236 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PIP4K2A P48426 1/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
F2 P00734 1/20 0.35
PLAT P00750 1/20 0.35
S1PR1 P21453 1/20 0.33
CBFB Q13951 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9636112 0.91 PDE5A (0.41) PDE5APDE10AKDM4EALDH1A1HPGD
SCHEMBL7280738 0.88 PDE5A (0.50) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL7272064 0.83 PDE5A (0.48) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL7278585 0.82 PDE5A (0.41) PDE5APDE10AKDM4EALDH1A1HPGD
Isomazole SCHEMBL145963 0.81 PDE5A (0.51) PDE5AKDM4EALDH1A1HPGDPDE3B
Isomazole SCHEMBL30578156 0.81 PDE5A (0.51) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL7278405 0.81 ALDH1A1 (0.39) PDE5AKDM4EALDH1A1HPGDKDM4C
SCHEMBL7282250 0.80 PDE5A (0.41) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL7274851 0.80 PDE5A (0.41) PDE5APDE10AKDM4EALDH1A1HPGD
Isomazole SCHEMBL121627 0.80 PDE5A (0.51) PDE5AKDM4EALDH1A1HPGDPDE3B

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