SCHEMBL10681743

SCHEMBL10681743

CCc1[nH]c(=O)c(C(=O)O)cc1C(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.53
▸ PDE3A Q14432 3/20 0.53
▸ UCHL1 P09936 5/20 0.48
▸ CDC7 O00311 1/20 0.45
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ALDH1A1 P00352 2/20 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
SCHEMBL10678289 0.88 CDC7 (0.56) PDE3BPDE3AUCHL1CDC7CDK5
SCHEMBL10681806 0.85 PDE3B (0.55) PDE3BPDE3AUCHL1CDC7CDK5
SCHEMBL10681150 0.85 UCHL1 (0.50) UCHL1KDM4EHPGDGAAHSD17B10
SCHEMBL10684544 0.85 CDK5 (0.54) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL10684520 0.84 UCHL1 (0.46) PDE3BPDE3AUCHL1KMT2AMEN1
SCHEMBL10683120 0.84 PDE3B (0.53) PDE3BPDE3AUCHL1CDC7CDK5
SCHEMBL10677653 0.82 UCHL1 (0.53) UCHL1KMT2AKDM4EHPGDGAA
SCHEMBL7384727 0.81 PDE3B (0.62) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL10680362 0.80 SRD5A2 (0.48) KMT2AMEN1KDM4EGAANPSR1
SCHEMBL11237847 0.80 PDE3B (0.60) PDE3BPDE3AUCHL1CDC7CDK5

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-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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