SCHEMBL29088005

SCHEMBL29088005

[Zn].c1cnc2nc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.44
METAP1 P53582 2/20 0.39
METAP2 P50579 1/20 0.39
PSMD14 O00487 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.36
PARP1 P09874 2/20 0.36
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
CDK2 P24941 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL41738 0.98
SCHEMBL29371691 0.98
SCHEMBL31365934 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PSMD14KDM4E
Iodide SCHEMBL900009 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PSMD14KDM4E
Hydrochloric Acid SCHEMBL1813549 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PSMD14KDM4E
SCHEMBL2446689 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PSMD14KDM4E
Hydrochloric Acid SCHEMBL4664431 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PSMD14KDM4E
Hydrochloric Acid SCHEMBL12003889 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PSMD14KDM4E
SCHEMBL31249060 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PSMD14KDM4E
SCHEMBL28627358 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PSMD14KDM4E

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
CN-116462689-A Imidazo zinc pyridine complex and preparation method and application thereof 洛阳师范学院 2023-07-21 CN claimed
CN-116462689-A Imidazo zinc pyridine complex and preparation method and application thereof 洛阳师范学院 2023-07-21 CN disclosed