SCHEMBL10890341

SCHEMBL10890341

CCOC(=O)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.54
▸ PDE3A Q14432 4/20 0.54
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP19A1 P11511 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL10632989 0.88 PDE3B (0.68) PDE3BPDE3AMAPTHPGDALDH1A1
SCHEMBL10890339 0.84 PDE3B (0.46) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL10892553 0.83 PDE3B (0.51) PDE3BPDE3AMAPTPOLBALDH1A1
SCHEMBL10887832 0.83 PDE3B (0.51) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL10889852 0.81 PDE3B (0.48) PDE3BPDE3AMAPTHPGDPOLB
SCHEMBL10636413 0.80 PDE3B (0.64) PDE3BPDE3AMAPTHPGDPOLB
SCHEMBL10639060 0.80 TP53 (0.56) PDE3BPDE3AMAPTHPGDALDH1A1
SCHEMBL10888365 0.79 PDE3B (0.47) PDE3BPDE3AMAPTPOLBALDH1A1
SCHEMBL10886723 0.79 ALDH1A1 (0.50) PDE3BPDE3AMAPTHPGDPOLB
SCHEMBL10636457 0.79 PDE3B (0.44) PDE3BPDE3AMAPTHPGDALDH1A1

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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