SCHEMBL9634671

SCHEMBL9634671

C[S+]([O-])c1ccc(-c2nc3cnccc3[nH]2)c([S+](C)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
METAP2 P50579 2/20 0.35
JMJD6 Q6NYC1 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
AURKA O14965 1/20 0.33
LDHA P00338 1/20 0.33
EPHX2 P34913 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
PKM P14618 2/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL9634788 0.88 AMY1A (0.38) PDE5APDE3BPDE3AJMJD6PDE4A
Isomazole SCHEMBL145963 0.87 PDE5A (0.51) PDE5APDE3BPDE3AALDH1A1KDM4E
Isomazole SCHEMBL30578156 0.87 PDE5A (0.51) PDE5APDE3BPDE3AALDH1A1KDM4E
SCHEMBL7279662 0.86 AMY1A (0.39) PDE5APDE3BPDE3AJMJD6ALDH1A1
SCHEMBL9635868 0.86 AMY1A (0.40) PDE5APDE3BPDE3AJMJD6ALDH1A1
Isomazole SCHEMBL121627 0.86 PDE5A (0.51) PDE5APDE3BPDE3AALDH1A1KDM4E
SCHEMBL10737627 0.85 PDE5A (0.35) PDE5APDE3BPDE3AALDH1A1HPGD
SCHEMBL9635768 0.84 PDE5A (0.44) PDE5APDE3BPDE3AALDH1A1KDM4E
SCHEMBL7278405 0.84 ALDH1A1 (0.39) PDE5APDE3BPDE3AJMJD6ALDH1A1
SCHEMBL9636112 0.84 PDE5A (0.41) PDE5APDE3BPDE3AALDH1A1KDM4E

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