SCHEMBL10732992

SCHEMBL10732992

CC1CC(=O)NN=C1c1ccc(NC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 15/20 0.70
▸ PDE3A Q14432 15/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TNNC1 P63316 1/20 0.55
▸ PDE4A P27815 2/20 0.48
▸ PDE4B Q07343 2/20 0.48
▸ PDE4C Q08493 2/20 0.48
▸ PDE4D Q08499 2/20 0.48
▸ TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL10475173 0.91 PDE3B (0.70) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10473610 0.90 PDE3B (0.69) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10731125 0.90 PDE3B (0.69) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10473612 0.88 PDE3B (0.70) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10475042 0.86 PDE3B (0.67) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL22317993 0.83 PDE3B (0.64) PDE3BPDE3AMAPTTNNC1PDE4A
SCHEMBL11633346 0.83 PDE3B (0.64) PDE3BPDE3AMAPTTNNC1PDE4A
SCHEMBL10472726 0.83 PDE3B (0.66) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10472706 0.83 PDE3B (0.66) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL3723998 0.83 PDE3B (1.00) PDE3BPDE3ASMN1; SMN2MAPTKDM4E

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-4639451-A HYPOTENSIVE AGENTS, ANTICOAGULANTS MITSUI TOATSU KAGAKU-KABUSHIKI KAISHA (JP) 1987-01-27 — — US disclosed
EP-0107735-A1 NOVEL PYRIDAZINONE DERIVATIVES MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1984-05-09 — — EP disclosed
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