SCHEMBL8044736

SCHEMBL8044736

O=C(O)c1cnc(Sc2nnc(CCO)s2)s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
USP7 Q93009 1/20 0.35
MAPK8 P45983 4/20 0.33
MAPK9 P45984 4/20 0.33
MAPK10 P53779 1/20 0.33
GLS O94925 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
SCHEMBL8051764 0.89 RXRA (0.41) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044684 0.88 RXRA (0.42) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043212 0.88 RXRA (0.39) RXRARXRBRXRGHCAR2USP7
SCHEMBL8046385 0.86 RXRA (0.41) RXRARXRBRXRGHCAR2USP7
SCHEMBL8050209 0.84 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8042939 0.84 RXRA (0.41) RXRARXRBRXRGHCAR2USP7
SCHEMBL8032493 0.84 RAB9A (0.44)
SCHEMBL8043440 0.82 F2 (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044327 0.81 RXRA (0.41) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044854 0.80 RXRA (0.39) 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