SCHEMBL10759502

SCHEMBL10759502

COc1cccc(C(C)=CC2=NNC(=O)CC2C)c1[S+](C)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE3A Q14432 14/20 0.39
▸ PDE4B Q07343 9/20 0.39
▸ PDE3B Q13370 6/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.35
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ACHE P22303 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
SCHEMBL10760371 0.85 MAPT (0.53) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10764573 0.84 PDE3A (0.38) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10764404 0.84 PDE3A (0.40) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10768228 0.82 PDE3A (0.41) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10768192 0.82 PDE3A (0.43) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10766193 0.82 PDE3A (0.41) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10759895 0.82 MAPT (0.43) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10766154 0.81 PDE3A (0.42) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10763684 0.81 MAPT (0.43) MAPTSMN1; SMN2PDE3APDE4BPDE3B
SCHEMBL10765916 0.79 PDE3A (0.42) MAPTSMN1; SMN2PDE3APDE4BPDE3B

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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