SCHEMBL8042402

SCHEMBL8042402

Cc1csc(Sc2nnn(CC(=O)O)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
THRB P10828 1/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC12A2 P55011 1/20 0.36
SLC12A5 Q9H2X9 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 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
SCHEMBL8043900 0.83 SMN1; SMN2 (0.36) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8042878 0.83 HSD17B10 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL8047618 0.82 RAB9A (0.46) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8033941 0.80 SMN1; SMN2 (0.36) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8049804 0.79 KMT2A (0.43) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8044452 0.78 RAB9A (0.44) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8051281 0.77 MEN1 (0.39) ALDH1A1MEN1KMT2ARECQLGAA
SCHEMBL8042296 0.77 RAB9A (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL8048213 0.77 XPO1 (0.40) ALDH1A1LMNAMAPTMAPK1MEN1
SCHEMBL8042050 0.76 LMNA (0.42) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2

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