SCHEMBL9636172

SCHEMBL9636172

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.46
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPSE Q9Y251 2/20 0.39
▸ CDK4 P11802 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ AMY1A P0DUB6 1/20 0.34

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
SCHEMBL9635629 0.92 PDE5A (0.44) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636268 0.91 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7270954 0.86 PDE5A (0.48) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7272018 0.84 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636544 0.84 HPSE (0.44) KDM4EALDH1A1HPGDGAAHPSE
SCHEMBL9636113 0.83 PDE5A (0.46) PDE5APDE3BPDE3AKDM4EALDH1A1
Isomazole SCHEMBL145963 0.82 PDE5A (0.51) PDE5APDE3BPDE3AKDM4EALDH1A1
Isomazole SCHEMBL30578156 0.82 PDE5A (0.51) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9635800 0.82 PDE5A (0.45) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634484 0.82 PDE5A (0.45) 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
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