SCHEMBL10731125

SCHEMBL10731125

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.69
▸ PDE3A Q14432 13/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ TNNC1 P63316 1/20 0.54
▸ PTPN1 P18031 3/20 0.53
▸ PTPN11 Q06124 2/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47

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
SCHEMBL10732992 0.90 PDE3B (0.70) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10475173 0.90 PDE3B (0.70) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10473610 0.89 PDE3B (0.69) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10473612 0.87 PDE3B (0.70) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10475042 0.85 PDE3B (0.67) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL16156998 0.84 PDE3B (0.62) PDE3BPDE3AMAPTTNNC1PDE4A
SCHEMBL16157198 0.84 PDE3B (0.62) PDE3BPDE3AMAPTTNNC1PDE4A
SCHEMBL11159409 0.84 PDE3B (0.67) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11162328 0.84 PDE3B (0.65) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11257256 0.83 PDE3B (0.61) PDE3BPDE3AMAPTTNNC1PDE4A

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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