SCHEMBL8050355

SCHEMBL8050355

O=C(Nc1cnc(Sc2nnnn2-c2ccc(Oc3ccccc3)cc2)s1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 4/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
PGR P06401 1/20 0.40
BCL2 P10415 1/20 0.40

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
SCHEMBL8048593 0.92 CYP1A2 (0.52) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8050828 0.91 ALDH1A1 (0.48) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8051515 0.89 HPGD (0.49) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8042315 0.89 KMT2A (0.46) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8042810 0.87 ALDH1A1 (0.43) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8048023 0.87 ALDH1A1 (0.42) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8043280 0.86 MAPT (0.41) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8043891 0.85 PTGS2 (0.46) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL8716341 0.85 HPGD (0.45) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8042692 0.84 POLB (0.46) MAPTKMT2AMEN1ALDH1A1HTT

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