SCHEMBL10416664

SCHEMBL10416664

CCC(S)Oc1ccc(-c2nc3cnccc3[nH]2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ PDE2A O00408 1/20 0.43
▸ AAK1 Q2M2I8 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 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
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ AMY1A P0DUB6 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPSE Q9Y251 1/20 0.35

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
SCHEMBL7272331 0.92 PDE5A (0.45) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL7272106 0.92 PDE2A (0.43) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL10417483 0.90 PDE5A (0.44) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL9635694 0.86 PDE5A (0.51) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL7270959 0.84 PDE2A (0.58) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL7272319 0.84 PDE2A (0.42) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL7281375 0.84 PDE5A (0.51) PDE5APDE3BPDE3APDE2AAAK1
Hydrochloric Acid SCHEMBL7272531 0.83 PDE2A (0.57) PDE5APDE3BPDE3APDE2AKDM4E
Hydrochloric Acid SCHEMBL7281818 0.83 PDE5A (0.43) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL10417545 0.82 PDE5A (0.42) PDE5APDE3BPDE3APDE2AAAK1

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 2 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
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