SCHEMBL8044746

SCHEMBL8044746

Cn1c(Sc2ncc(C(=O)O)s2)nnc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

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 0.39
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
AGTR1 P30556 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR9 Q9NR96 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL8041975 0.83 RXRA (0.45) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044835 0.82 USP7 (0.38) RXRARXRBRXRGHCAR2USP7
SCHEMBL8041815 0.79 MEN1 (0.33) USP7MEN1NPC1AGTR1RAB9A
SCHEMBL8048372 0.77 MEN1 (0.33) MEN1NPC1AGTR1RAB9AKMT2A
SCHEMBL8034182 0.76 NPC1 (0.55) MEN1NPC1AGTR1RAB9AKMT2A
SCHEMBL8033751 0.75 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8033687 0.75 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8050732 0.74 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8042494 0.74 HDAC6 (0.56) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8042669 0.73 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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed