SCHEMBL9635764

SCHEMBL9635764

COC(=O)C[S+]([O-])c1ccccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PDE5A O76074 5/20 0.43
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ HSP90AB1 P08238 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ADRB1 P08588 1/20 0.36

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
SCHEMBL9636242 0.90 KDM4E (0.41) KDM4EALDH1A1HPGDUSP2GAA
SCHEMBL9634872 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDUSP2GAA
SCHEMBL9634705 0.82 PDE5A (0.44) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL9636544 0.81 HPSE (0.44) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL9636073 0.80 PDE5A (0.43) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL9634861 0.80 PDE5A (0.44) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL9636172 0.80 PDE5A (0.46) KDM4EALDH1A1HPGDUSP2GAA
SCHEMBL9635744 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL7270724 0.78 PDE5A (0.50) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL9634414 0.78 PDE5A (0.40) KDM4EALDH1A1HPGDGAANPSR1

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-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
Send feedback