SCHEMBL8046903

SCHEMBL8046903

O=C(O)c1ccc(-n2nnnc2Sc2ncc(Cl)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
EP300 Q09472 1/20 0.48
RECQL P46063 1/20 0.47
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 4/20 0.46
PPARG P37231 1/20 0.46
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8045818 0.87 HPGD (0.51) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8043646 0.85 ALDH1A1 (0.54) HPGDEP300KMT2AMEN1ALDH1A1
SCHEMBL8042845 0.83 ALDH1A1 (0.42) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8041899 0.82 RECQL (0.49) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8032469 0.82 RECQL (0.57) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8044972 0.81 ALDH1A1 (0.43) HPGDKMT2AALDH1A1MAPK1POLB
SCHEMBL8044847 0.81 SMN1; SMN2 (0.45) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8032741 0.81 PTGS2 (0.48) HPGDKMT2AALDH1A1MAPK1NPSR1
SCHEMBL8042672 0.80 ALDH1A1 (0.42) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8044841 0.80 KDM4E (0.49) HPGDRECQLKMT2AMEN1ALDH1A1

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