SCHEMBL8043440

SCHEMBL8043440

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
MAPK8 P45983 4/20 0.35
MAPK9 P45984 4/20 0.35
MAPK10 P53779 1/20 0.35
USP7 Q93009 1/20 0.35
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL8042939 0.89 RXRA (0.41) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8051764 0.85 RXRA (0.41) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8050209 0.83 RXRA (0.43) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8044736 0.82 RXRA (0.40) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8034054 0.82 F2 (0.44) F2MAPK8MAPK9MAPK10USP7
SCHEMBL8044449 0.81 SMN1; SMN2 (0.43) RXRARXRBRXRGHCAR2ALDH1A1
SCHEMBL8043212 0.81 RXRA (0.39) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8044684 0.81 RXRA (0.42) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8044327 0.80 RXRA (0.41) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8046385 0.80 RXRA (0.41) RXRARXRBRXRGHCAR2MAPK8

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