SCHEMBL8042445

SCHEMBL8042445

CSc1ccc(-n2nnnc2Sc2nccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.44
TP53 P04637 5/20 0.44
JAK2 O60674 1/20 0.44
TLR9 Q9NR96 1/20 0.44
POLB P06746 1/20 0.41
ALDH1A1 P00352 10/20 0.41
HTT P42858 6/20 0.41
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 4/20 0.41
HPGD P15428 5/20 0.40
FBP1 P09467 5/20 0.38
TSHR P16473 5/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL8032781 0.84 TP53 (0.46) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8032540 0.84 ALDH1A1 (0.53) HSD17B10TP53POLBALDH1A1HTT
SCHEMBL8051272 0.84 SMN1; SMN2 (0.49) HSD17B10TP53JAK2TLR9POLB
SCHEMBL8047806 0.84 MAPT (0.43) HSD17B10TP53JAK2TLR9POLB
SCHEMBL8044697 0.84 HSD17B10 (0.43) HSD17B10TP53JAK2TLR9POLB
SCHEMBL8048040 0.80 HPGD (0.52) HSD17B10TP53JAK2TLR9POLB
SCHEMBL8042731 0.80 ALDH1A1 (0.41) HSD17B10TP53JAK2TLR9POLB
SCHEMBL8044845 0.79 PTGS2 (0.46) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8041912 0.79 SMN1; SMN2 (0.47) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8044972 0.78 ALDH1A1 (0.43) HSD17B10TP53JAK2TLR9POLB

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