SCHEMBL8042669

SCHEMBL8042669

CC(C)(C)c1nnc(Sc2ncc(C(=O)O)s2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
USP7 Q93009 1/20 0.39
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
MAPK8 P45983 4/20 0.33
MAPK9 P45984 4/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8048020 0.82 HCAR2 (0.56) RXRARXRBRXRGHCAR2USP7
SCHEMBL8050918 0.78 MAPK8 (0.55) RXRARXRBRXRGHCAR2USP7
SCHEMBL8050209 0.77 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8047234 0.77 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8042630 0.76 RAB9A (0.35) USP7RAB9AALDH1A1NPC1MAPK8
SCHEMBL8051764 0.75 RXRA (0.41) RXRARXRBRXRGHCAR2USP7
SCHEMBL8044684 0.75 RXRA (0.42) RXRARXRBRXRGHCAR2USP7
SCHEMBL4282035 0.74 HCAR2 (0.57) RXRARXRBRXRGHCAR2ALDH1A1
SCHEMBL8050241 0.74 CA1 (0.35) ALDH1A1MAPK8MAPK9MEN1KMT2A
SCHEMBL8042939 0.74 RXRA (0.41) 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