SCHEMBL8733539

SCHEMBL8733539

CSc1ccc2nc[nH]c2c1.[Zn]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 8/20 0.53
PRKCI P41743 1/20 0.52
MMP12 P39900 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
RAD52 P43351 1/20 0.50
QPCTL Q9NXS2 1/20 0.49
CYP3A4 P08684 1/20 0.46
NAMPT P43490 1/20 0.46
XDH P47989 1/20 0.46
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AR P10275 1/20 0.44
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1976001 0.98 QPCT (0.55) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL8733538 0.85 QPCT (0.44) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL1976000 0.83 QPCT (0.45) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL26639265 0.79 PRKCI (0.53) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL31190010 0.79 MMP12 (0.49) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL8425541 0.76 POLB (0.46) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL30472190 0.76 QPCT (0.46) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL29403639 0.76 QPCT (0.46) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL29589018 0.75 KDM4E (0.50) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL11855328 0.75 KDM4E (0.50) QPCTPRKCIMMP12KDM4EMAPT

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-5804668-A PREPARED FROM AMIDINES, ZINC MERCAPTO COMPOUNDS, ELASTOMERS; IMPROVED STORAGE STABILITY, AGING RESISTANCE BAYER AG (DE) 1998-09-08 US disclosed