SCHEMBL10760439

SCHEMBL10760439

COc1ccc(C=C(C)C2=NNC(=O)CC2C)c([S+](C)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 10/20 0.41
▸ PDE3B Q13370 7/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ GPR119 Q8TDV5 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE4B Q07343 5/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ MAPT P10636 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ ACHE P22303 1/20 0.32
▸ SLFN12 Q8IYM2 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL10762749 0.92 PDE3A (0.39) PDE3APDE3BABCB11MAOAADORA2A
SCHEMBL10760489 0.83 PBRM1 (0.35) PDE3APDE3BGPR119ALDH1A1SMN1; SMN2
SCHEMBL10761353 0.83 PDE3A (0.39) PDE3APDE3BABCB11MAOAADORA2A
SCHEMBL10765771 0.82 PDE3A (0.41) PDE3APDE3BABCB11MAOAADORA2A
SCHEMBL10763989 0.82 PDE3A (0.34) PDE3APDE3BABCB11MAOAADORA2A
SCHEMBL10765555 0.82 PDE3A (0.42) PDE3APDE3BABCB11MAOAADORA2A
SCHEMBL10761038 0.81 PDE3A (0.39) PDE3APDE3BABCB11MAOAADORA2A
SCHEMBL10762031 0.81 PDE3B (0.42) PDE3APDE3BABCB11MAOAADORA2A
SCHEMBL10760145 0.80 PDE3A (0.43) PDE3APDE3BGPR119SMN1; SMN2PDE4B
SCHEMBL10769221 0.80 PDE3A (0.38) PDE3APDE3BABCB11MAOAADORA2A

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
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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