SCHEMBL8042939

SCHEMBL8042939

O=C(O)Cc1nnc(Sc2ncc(C(=O)O)s2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
USP7 Q93009 1/20 0.36
MAPK8 P45983 4/20 0.33
MAPK9 P45984 4/20 0.33
MAPK10 P53779 1/20 0.33
GSK3B P49841 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APEX1 P27695 1/20 0.32
P4HTM Q9NXG6 1/20 0.30

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
SCHEMBL8043440 0.89 F2 (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8051764 0.87 RXRA (0.41) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043212 0.86 RXRA (0.39) RXRARXRBRXRGHCAR2USP7
SCHEMBL8050209 0.86 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044736 0.84 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044449 0.83 SMN1; SMN2 (0.43) RXRARXRBRXRGHCAR2GAA
SCHEMBL8044684 0.83 RXRA (0.42) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044476 0.83 MAPK8 (0.33) USP7MAPK8MAPK9MAPK10GSK3B
SCHEMBL8044327 0.82 RXRA (0.41) RXRARXRBRXRGHCAR2USP7
SCHEMBL8046385 0.82 RXRA (0.41) RXRARXRBRXRGHCAR2USP7

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed