SCHEMBL8050237

SCHEMBL8050237

CC(C)n1nnc(Sc2ncc(C(=O)O)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
USP7 Q93009 1/20 0.36
FFAR2 O15552 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL8043447 0.83 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8045389 0.82 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043545 0.82 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043914 0.79
SCHEMBL8049983 0.78 RXRA (0.39) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044148 0.77
SCHEMBL8046142 0.77 RXRA (0.38) RXRARXRBRXRGHCAR2USP7
SCHEMBL8050490 0.76 CCNE1 (0.41) HDAC6
SCHEMBL8048200 0.76 MAPK8 (0.49)
SCHEMBL8044846 0.76 RAB9A (0.42) 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