SCHEMBL8045955

SCHEMBL8045955

CC(C)(C)c1nnc(Sc2nc(CC(=O)O)cs2)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8042846 0.83 HSD17B10 (0.40) GABRA5GABRB2HSD17B10GAAMAPT
SCHEMBL8031825 0.80 LMNA (0.40) RXRARXRBRXRGHSD17B10GAA
SCHEMBL8043598 0.79 RECQL (0.55) HSD17B10MAPTALDH1A1NPSR1
SCHEMBL8034024 0.78 HTR1A (0.41) MAPTNPC1ALDH1A1NFKB1RAB9A
SCHEMBL8033946 0.78 ATM (0.45) NPC1ALDH1A1RAB9APOLB
SCHEMBL8050649 0.78 RECQL (0.37) RXRARXRBRXRGHSD17B10GAA
SCHEMBL8044583 0.78 HSD17B10 (0.50) RXRARXRBRXRGHSD17B10MAPT
SCHEMBL8046541 0.76 KDM4E (0.47) GAAMAPTALDH1A1RAB9A
SCHEMBL8042821 0.76 RPA1 (0.54) HSD17B10ALDH1A1NPSR1
SCHEMBL8032480 0.76 PKM (0.38) RXRARXRBRXRGMAPTALDH1A1

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