SCHEMBL8043891

SCHEMBL8043891

NS(=O)(=O)c1ccc(-n2nnnc2Sc2ncc(NC(=O)c3ccccc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
PTGS1 P23219 1/20 0.46
PKM P14618 1/20 0.44
CA1 P00915 10/20 0.42
CA2 P00918 10/20 0.42
CA9 Q16790 8/20 0.42
CA12 O43570 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 6/20 0.40
MAOA P21397 1/20 0.39
MAPK1 P28482 2/20 0.38
TP53 P04637 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
SCHEMBL8050828 0.90 ALDH1A1 (0.48) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL8046892 0.89 EP300 (0.43) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL8051515 0.88 HPGD (0.49) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8042315 0.87 KMT2A (0.46) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL8042810 0.85 ALDH1A1 (0.43) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL8050355 0.85 MAPT (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8048023 0.85 ALDH1A1 (0.42) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL8048593 0.84 CYP1A2 (0.52) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8043280 0.84 MAPT (0.41) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL8716341 0.84 HPGD (0.45) KMT2AMEN1ALDH1A1LMNAMAPT

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