SCHEMBL8046142

SCHEMBL8046142

O=C(O)Cn1nnc(Sc2ncc(C(=O)O)s2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
USP7 Q93009 1/20 0.33
SCD O00767 5/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL8045389 0.87 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8049983 0.85 RXRA (0.39) RXRARXRBRXRGMEN1KMT2A
SCHEMBL8037025 0.85 MEN1 (0.37) MEN1KMT2ASCD
SCHEMBL8033057 0.83 RAB9A (0.44) RXRARXRBRXRG
SCHEMBL8044846 0.83 RAB9A (0.42) RXRARXRBRXRGMEN1KMT2A
SCHEMBL8043417 0.81 HDAC6 (0.36) RXRARXRBRXRG
SCHEMBL8044469 0.81 MAPK8 (0.46) MEN1KMT2A
SCHEMBL8034005 0.81 MEN1 (0.34) MEN1KMT2ASCDRECQL
SCHEMBL8043447 0.80 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043545 0.77 RXRA (0.40) 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