SCHEMBL9636112

SCHEMBL9636112

CCOc1cc([S+](C)[O-])ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 2/20 0.37
GUSB P08236 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PLG P00747 3/20 0.35
PLAU P00749 3/20 0.35
F10 P00742 2/20 0.35
F2 P00734 1/20 0.35
PLAT P00750 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PIP4K2A P48426 1/20 0.33
CBFB Q13951 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
SCHEMBL7272064 0.92 PDE5A (0.48) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7277783 0.91 PDE5A (0.41) PDE5APDE3BPDE3APDE10AGUSB
SCHEMBL7278585 0.90 PDE5A (0.41) PDE5APDE3BPDE3APDE10AGUSB
SCHEMBL7274851 0.89 PDE5A (0.41) PDE5APDE3BPDE3APDE10AGUSB
SCHEMBL7282250 0.89 PDE5A (0.41) PDE5APDE3BPDE3AKDM4EALDH1A1
Isomazole SCHEMBL30578156 0.88 PDE5A (0.51) PDE5APDE3BPDE3AKDM4EALDH1A1
Isomazole SCHEMBL145963 0.88 PDE5A (0.51) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9635661 0.88 PDE5A (0.37) PDE5APDE3BPDE3APDE10AKDM4E
SCHEMBL9636327 0.88 PDE5A (0.37) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634524 0.88 PDE5A (0.37) PDE5APDE3BPDE3AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed