SCHEMBL8043447

SCHEMBL8043447

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
USP7 Q93009 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.31
LIG1 P18858 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
DAO P14920 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
SCHEMBL8049983 0.83 RXRA (0.39) RXRARXRBRXRGHCAR2USP7
SCHEMBL8050237 0.83 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043545 0.83 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8045389 0.83 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044846 0.81 RAB9A (0.42) RXRARXRBRXRGHCAR2USP7
SCHEMBL8046142 0.80 RXRA (0.38) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043417 0.77 HDAC6 (0.36) RXRARXRBRXRGKDM4EDAO
SCHEMBL8033057 0.76 RAB9A (0.44) RXRARXRBRXRGALDH1A1
SCHEMBL8041975 0.75 RXRA (0.45) RXRARXRBRXRGHCAR2USP7
SCHEMBL8033751 0.75 RXRA (0.43) 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