SCHEMBL11264525

SCHEMBL11264525

Cc1cc(-c2cc(C#N)c(=O)[nH]c2/C=C/N(C)C)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 5/20 0.47
▸ PDE3B Q13370 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ PDE4A P27815 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ PDE5A O76074 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ GALR3 O60755 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PMP22 Q01453 1/20 0.39

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
SCHEMBL11264528 1.00 PDE3A (0.47) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11259651 0.86 PDE3A (0.61) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11260642 0.86 KDM4E (0.42) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11259649 0.86 PDE3A (0.61) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11260647 0.86 KDM4E (0.42) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11263181 0.80 PDE3B (0.44) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11263595 0.80 KDM4E (0.42) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11263598 0.80 KDM4E (0.42) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11263185 0.80 PDE3B (0.44) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11258795 0.80 PDE3A (0.43) PDE3APDE3BHPGDKDM4EPDE4A

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-4363911-A 1,2-Dihydro-6-[2-(dimethylamino)ethenyl]-2-oxo-5-(pyridinyl) nicotinonitriles STERLING DRUG INC. (US) 1982-12-14 — — US disclosed
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