SCHEMBL11164767

SCHEMBL11164767

CC1CC(=O)NN=C1c1ccc(NC(=O)SCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.58
▸ PDE3A Q14432 14/20 0.58
▸ MAPT P10636 4/20 0.48
▸ GALR3 O60755 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TNNC1 P63316 1/20 0.46
▸ SLFN12 Q8IYM2 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL11175054 0.88 PDE3B (0.62) PDE3BPDE3AMAPTALDH1A1SMN1; SMN2
SCHEMBL11172793 0.87 PDE3B (0.61) PDE3BPDE3AMAPTALDH1A1SMN1; SMN2
SCHEMBL11171962 0.86 PDE3B (0.68) PDE3BPDE3AMAPTALDH1A1SMN1; SMN2
SCHEMBL11167091 0.86 PDE3B (0.60) PDE3BPDE3AMAPTGALR3THRB
SCHEMBL11159556 0.85 PDE3B (0.59) PDE3BPDE3AMAPTALDH1A1SMN1; SMN2
SCHEMBL11161927 0.83 PDE3B (0.76) PDE3BPDE3AMAPTGALR3THRB
SCHEMBL11165225 0.81 PDE3B (0.70) PDE3BPDE3AMAPTALDH1A1SMN1; SMN2
SCHEMBL11165047 0.81 PDE3B (0.77) PDE3BPDE3AMAPTGALR3THRB
SCHEMBL11120072 0.80 PDE3B (0.62) PDE3BPDE3AMAPTGALR3THRB
SCHEMBL11167698 0.78 PDE3B (0.66) PDE3BPDE3AMAPTALDH1A1SMN1; SMN2

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-4415571-A HYPOTENSIVE AGENTS; THROMBOSIS; ANTICOAGULANTS; CARDIOVASCULAR DISORDDERS BASF AKTIENGESELLSCHAFT (DE) 1983-11-15 — — US disclosed
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