SCHEMBL10886795

SCHEMBL10886795

CC(=O)CC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.49
▸ PDE3A Q14432 5/20 0.49
▸ MAPT P10636 2/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GPR119 Q8TDV5 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL10890398 0.90 PDE3B (0.46) PDE3BPDE3AMAPTPDE4APDE4B
Hydrochloric Acid SCHEMBL10889345 0.89 PDE3B (0.45) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10888365 0.88 PDE3B (0.47) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10887732 0.87 ALDH1A1 (0.48) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10636413 0.87 PDE3B (0.64) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10891327 0.86 PDE3B (0.45) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10639060 0.86 TP53 (0.56) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10886723 0.85 ALDH1A1 (0.50) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10890051 0.85 TAAR1 (0.46) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10849499 0.85 HPGD (0.48) PDE3BPDE3AMAPTPDE4APDE4B

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-4616015-A HYPOTENSIVE AGENT, ANTULCER AGENT, ANTICOAGULANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 — — US disclosed
EP-0122627-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 — — EP disclosed
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