Zinc Ion

Zinc Ion

SCHEMBL11133447

O=C([O-])c1cc(Cc2ccccc2)ccc1O.O=C([O-])c1cc(Cc2ccccc2)ccc1O.[Zn+2]

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.73
▸ KLKB1 P03952 1/20 0.61
▸ CTSB P07858 1/20 0.61
▸ MMP9 P14780 1/20 0.61
▸ DNMT1 P26358 1/20 0.61
▸ DNMT3B Q9UBC3 1/20 0.61
▸ DNMT3L Q9UJW3 1/20 0.61
▸ DNMT3A Q9Y6K1 1/20 0.61
▸ IDH1 O75874 1/20 0.58
▸ ACMSD Q8TDX5 1/20 0.55
▸ MPO P05164 1/20 0.53
▸ PTPN1 P18031 3/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LCK P06239 1/20 0.44
▸ PLA2G10 O15496 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43

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
SCHEMBL27396608 0.84 HNF4A (1.00) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL5446640 0.84 HNF4A (1.00) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL11133452 0.83 HNF4A (0.96) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL7958354 0.81 HNF4A (0.75) HNF4AKLKB1CTSBMMP9DNMT1
Zinc Ion SCHEMBL9496903 0.79 KLKB1 (0.47) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL6283982 0.76 HNF4A (0.67) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL160646 0.76 KLKB1 (1.00) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL29414416 0.76 KLKB1 (1.00) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL9769908 0.74 ACMSD (0.83) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL7948496 0.74 GUSB (0.67) HNF4AKLKB1CTSBMMP9DNMT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58205797-A — — None — — JP disclosed
JP-S58205797-A HEAT-SENSITIVE RECORDING MATERIAL RICOH CO LTD 1983-11-30 — — JP disclosed
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