Zinc Ion

Zinc Ion

SCHEMBL6407941

O=C([O-])c1nc2c(S)cccc2[nH]1.O=C([O-])c1nc2c(S)cccc2[nH]1.[Zn+2]

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
CNR2 P34972 5/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 10/20 0.36
PARP2 Q9UGN5 2/20 0.35
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
HTR6 P50406 1/20 0.33
DHODH Q02127 1/20 0.33
CNR1 P21554 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
SCHEMBL11047665 0.83 KDM4E (0.45) HRH4CNR2KDM4EHPGDPARP1
Zinc Ion SCHEMBL5318534 0.73 AURKA (0.58) HRH4CNR2KDM4E
SCHEMBL8956217 0.72 PSMD14 (0.39) KDM4EHPGDPARP1PSMD14COPS5
Silver SCHEMBL5832836 0.69 AURKA (0.58) HRH4CNR2KDM4E
Lithium Ion SCHEMBL15813273 0.69 AURKA (0.58) HRH4CNR2KDM4E
SCHEMBL5322186 0.69 AURKA (0.58) HRH4CNR2KDM4E
SCHEMBL306771 0.69 L3MBTL1 (0.56) KDM4EHPGDPARP1PSMD14COPS5
SCHEMBL8956250 0.68 PSMD14 (0.39) KDM4EHPGDPARP1PSMD14COPS5
SCHEMBL8956421 0.68 NPC1 (0.50) KDM4EHPGDPARP1PSMD14COPS5
Phosphine SCHEMBL25354668 0.68 AURKA (0.56) HRH4CNR2KDM4E

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
US-20050207687-A1 Rolling bearing NSK LTD. (JP) 2005-09-22 US disclosed