SCHEMBL8042328

SCHEMBL8042328

O=C(O)Cc1csc(Sc2nnnn2-c2cccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
POLB P06746 7/20 0.45
TDP1 Q9NUW8 3/20 0.44
HSD11B1 P28845 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL8051833 0.89 POLB (0.54) HSD17B10POLBTDP1ALDH1A1KMT2A
SCHEMBL8034317 0.82 HPGD (0.51) HSD17B10POLBTDP1ALDH1A1KMT2A
SCHEMBL8041793 0.82 POLB (0.43) HSD17B10POLBTDP1GAAALDH1A1
SCHEMBL8042498 0.80 GAA (0.47) HSD17B10POLBTDP1GAAALDH1A1
SCHEMBL8033835 0.80 POLB (0.41) HSD17B10POLBTDP1ALDH1A1KMT2A
SCHEMBL8051292 0.80 CYP1A2 (0.38) HSD17B10POLBTDP1GAAALDH1A1
SCHEMBL8047518 0.79 SMN1; SMN2 (0.53) HSD17B10POLBGAAALDH1A1KMT2A
SCHEMBL8044228 0.79 MAPT (0.41) HSD17B10POLBTDP1GAAALDH1A1
SCHEMBL8051265 0.79 TP53 (0.41) HSD17B10POLBTDP1GAAALDH1A1
SCHEMBL8043953 0.79 TDP1 (0.47) HSD17B10POLBTDP1GAAALDH1A1

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