SCHEMBL8048040

SCHEMBL8048040

O=C(O)c1ccc(-n2nnnc2Sc2nccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
EP300 Q09472 1/20 0.50
RECQL P46063 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 2/20 0.47
PPARG P37231 1/20 0.47
POLB P06746 3/20 0.46
NPSR1 Q6W5P4 1/20 0.44
JAK2 O60674 1/20 0.42
TP53 P04637 1/20 0.42
TLR9 Q9NR96 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL8032540 0.84 ALDH1A1 (0.53) HPGDEP300MEN1KMT2AALDH1A1
SCHEMBL8032781 0.82 TP53 (0.46) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL8045476 0.81 KMT2A (0.40) HPGDEP300RECQLMEN1KMT2A
SCHEMBL8042445 0.80 HSD17B10 (0.44) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL8032329 0.80 RECQL (0.53) HPGDEP300RECQLMEN1KMT2A
SCHEMBL8044845 0.80 PTGS2 (0.46) HPGDALDH1A1HSD17B10JAK2TP53
SCHEMBL8041912 0.80 SMN1; SMN2 (0.47) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL8045818 0.80 HPGD (0.51) HPGDEP300RECQLMEN1KMT2A
SCHEMBL8044697 0.79 HSD17B10 (0.43) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL8051272 0.79 SMN1; SMN2 (0.49) HPGDRECQLMEN1KMT2AALDH1A1

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