SCHEMBL28168409

SCHEMBL28168409

COC(=O)c1cc(OCC2CC2)cc(N(C)O[SH](=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.38
▸ PARP15 Q460N3 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ MCHR1 Q99705 4/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ KAT6A Q92794 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL10068809 0.81 PARP15 (0.49) F2PARP15PARP10PARP2NR1H4
SCHEMBL27819862 0.79 CA12 (0.44) KMT2AMEN1
SCHEMBL14813011 0.77 WDR5 (0.48) F2PARP15PARP10PARP2WDR5
SCHEMBL27968606 0.76 PDE4B (0.42) PARP15PARP10PARP2PDE4APDE4B
SCHEMBL21817404 0.76 KAT6A (0.52) F2PARP15PARP10PARP2NR1H4
SCHEMBL10068810 0.76 NR1H4 (0.50) F2PARP15PARP10PARP2NR1H4
SCHEMBL30056075 0.76 KAT6A (0.52) F2PARP15PARP10PARP2NR1H4
SCHEMBL14164999 0.75 PARP15 (0.47) F2PARP15PARP10PARP2ADORA2B
SCHEMBL16396797 0.75 NOTUM (0.46) F2PARP15PARP10PARP2ADORA2B
SCHEMBL10068795 0.74 WDR5 (0.44) F2PARP15PARP10PARP2ADORA2B

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
CN-106946848-A It is used as the derivative of the pyridyl alkyl alcohol of 1 phenyl 2 of phosphodiesterase inhibitors 奇斯药制品公司 2017-07-14 — — CN disclosed
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