SCHEMBL8033548

SCHEMBL8033548

COc1ccc(-n2c(Sc3nc(CC(=O)O)cs3)nnc2-c2cccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
PPARG P37231 2/20 0.56
RXFP1 Q9HBX9 2/20 0.56
NR2E3 Q9Y5X4 2/20 0.56
NCOR2 Q9Y618 2/20 0.56
ALDH1A1 P00352 8/20 0.55
HSD17B10 Q99714 7/20 0.55
HPGD P15428 5/20 0.55
USP2 O75604 1/20 0.55
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 5/20 0.48
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.45
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8050057 0.91 HSD17B10 (0.50) NPSR1MEN1KMT2AMAPTMAPK1
SCHEMBL8043598 0.90 RECQL (0.55) NPSR1MEN1KMT2AMAPTMAPK1
SCHEMBL8043612 0.88 HSD17B10 (0.52) NPSR1MEN1KMT2AMAPTMAPK1
SCHEMBL8044583 0.87 HSD17B10 (0.50) NPSR1MEN1KMT2AMAPTMAPK1
SCHEMBL8047015 0.87 RECQL (0.52) NPSR1MEN1KMT2AMAPTMAPK1
SCHEMBL8050042 0.85 HSD17B10 (0.49) NPSR1MEN1KMT2AMAPK1PPARG
SCHEMBL8045302 0.83 NPSR1 (0.54) NPSR1MEN1KMT2AMAPTMAPK1
SCHEMBL8042481 0.83 TSHR (0.52) NPSR1MEN1KMT2AMAPTMAPK1
SCHEMBL8033896 0.81 NPC1 (0.54) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL8043119 0.81 ALDH1A1 (0.48) NPSR1MEN1KMT2AMAPTPPARG

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