SCHEMBL3711063

SCHEMBL3711063

CCOC(=O)c1sc(-c2ccc3c(ccn3C(C)C)c2)nc1O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.60
MAPT P10636 4/20 0.57
CDC7 O00311 8/20 0.57
DBF4 Q9UBU7 8/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HSP90AA1 P07900 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54

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
SCHEMBL3708210 0.91 CDC7 (0.55) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL3706199 0.88 CDC7 (0.57) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL3709061 0.77 CDC7 (0.54) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL15049004 0.76 TRPM8 (1.00) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL24419142 0.74 CDC7 (0.62) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL8868073 0.74 TRPM8 (0.73) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL15049060 0.74 TRPM8 (0.80) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL15048955 0.74 TRPM8 (1.00) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL15049096 0.74 TRPM8 (1.00) TRPM8MAPTCDC7DBF4MEN1
SCHEMBL6338322 0.73 TRPM8 (1.00) TRPM8MAPTCDC7DBF4MEN1

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
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed