SCHEMBL8050828

SCHEMBL8050828

O=C(Nc1cnc(Sc2nnnn2-c2ccccc2)s1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
MAPT P10636 6/20 0.48
KMT2A Q03164 6/20 0.48
HTT P42858 4/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 3/20 0.44
TSHR P16473 3/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8051515 0.94 HPGD (0.49) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8042315 0.93 KMT2A (0.46) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8042692 0.92 POLB (0.46) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8050355 0.91 MAPT (0.44) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8042810 0.91 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8048023 0.91 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8048593 0.90 CYP1A2 (0.52) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8043280 0.90 MAPT (0.41) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8716341 0.90 HPGD (0.45) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8043891 0.90 PTGS2 (0.46) ALDH1A1MAPTKMT2AHTTMEN1

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 1 patent. 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