SCHEMBL9770587

SCHEMBL9770587

Cc1[nH]c(=O)c(C#N)cc1C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ PDE3A Q14432 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ PDE3B Q13370 3/20 0.49
▸ PDE4A P27815 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ PDE5A O76074 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ GALR3 O60755 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GRM4 Q14833 5/20 0.43

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
SCHEMBL7384310 0.84 PDE3B (0.52) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL7381624 0.80 KDM4E (0.57) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL9770554 0.78 PDE3A (0.59) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL9672637 0.77 ALDH1A1 (0.47) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL10808228 0.77 KDM4E (0.48) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL10808401 0.75 PDE3A (0.52) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL10809707 0.75 KDM4E (0.43) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL10808674 0.74 KDM4E (0.45) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL7272616 0.74 KDM4E (0.63) KDM4EPDE3AHPGDPDE3BPDE4A
SCHEMBL10810260 0.73 ALDH1A1 (0.46) KDM4EPDE3AHPGDPDE3BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992452-A Certain 5-acyl-2-(1H)-pyridinones useful in treating cardiac failure MERRELL DOW PHARMACEUTICALS INC. (US) 1991-02-12 — — US claimed
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