SCHEMBL8041975

SCHEMBL8041975

Cc1nnc(Sc2ncc(C(=O)O)s2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
USP7 Q93009 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AGTR1 P30556 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL8044746 0.83 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8042494 0.80 HDAC6 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8033687 0.78 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8033751 0.78 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043814 0.77 NPC1 (0.38) USP7NPC1RAB9AMEN1KMT2A
SCHEMBL8050654 0.75 NPC1 (0.36) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL8043447 0.75 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8048020 0.75 HCAR2 (0.56) RXRARXRBRXRGHCAR2USP7
SCHEMBL8042788 0.73 HSD17B10 (0.42) RXRARXRBRXRGHCAR2NPC1
SCHEMBL8050732 0.72 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