SCHEMBL12518496

SCHEMBL12518496

CCCNC(=S)Nc1ccc(C2=C3C=CC(=O)C=C3OC3C=C(O)C=CC23)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.40
▸ GSK3B P49841 4/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ MAPT P10636 2/20 0.32
▸ ALOX12 P18054 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA12 O43570 4/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA2 P00918 4/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ ADORA3 P0DMS8 3/20 0.31

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
SCHEMBL15004023 0.92 KDM4C (0.37) KDM4CGSK3BHDAC1HDAC6CA12
SCHEMBL25612307 0.90 HDAC6 (0.39) KDM4CGSK3BHDAC1HDAC6MAPT
SCHEMBL18625282 0.90 KDM4C (0.35) KDM4CGAACA12CA1CA2
SCHEMBL10063378 0.89 KDM4C (0.35) KDM4CGSK3BHDAC1HDAC6MAPT
SCHEMBL25612300 0.89 HDAC6 (0.40) KDM4CGSK3BHDAC1HDAC6CA12
SCHEMBL14367912 0.89 KDM4C (0.34) KDM4C
SCHEMBL16602269 0.88 KDM4C (0.32) KDM4C
SCHEMBL10110874 0.85 KDM4C (0.31) KDM4C
SCHEMBL16522851 0.81 — —
SCHEMBL10110877 0.80 PTPN1 (0.31) —

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
WO-2011086548-A2 TARGETED DELIVERY SYSTEMS FOR DIAGNOSTIC APPLICATIONS BEN GURION UNIVERSITY OF THE NEGEV (IL) 2011-07-21 — — WO disclosed
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