SCHEMBL10764697

SCHEMBL10764697

COc1cc(C=CC2=NNC(=O)CC2C)cc(SC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.45
▸ PDE3A Q14432 6/20 0.45
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL10763264 0.90 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10766386 0.86 PDE3A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10760628 0.86 PDE3A (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10762914 0.86 PDE3A (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10760509 0.83 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10760357 0.81 PDE3A (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10765837 0.80 PDE3A (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10767452 0.80 PDE3A (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10765685 0.80 PDE3A (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10764225 0.80 PDE3A (0.48) PDE3BPDE3APDE4APDE4BPDE4C

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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