SCHEMBL8045818

SCHEMBL8045818

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
EP300 Q09472 1/20 0.49
RECQL P46063 1/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 4/20 0.47
PPARG P37231 1/20 0.47
HTT P42858 2/20 0.45
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
MITF O75030 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
SCHEMBL8044465 0.90 ALDH1A1 (0.51) HPGDEP300KMT2AMEN1ALDH1A1
SCHEMBL8042658 0.89 KMT2A (0.42) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8046081 0.87 ALDH1A1 (0.46) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8716341 0.87 HPGD (0.45) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8046903 0.87 HPGD (0.50) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8033822 0.86 KDM4E (0.54) HPGDRECQLKMT2AMEN1ALDH1A1
SCHEMBL8033656 0.86 ALDH1A1 (0.41) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8047631 0.86 MAPT (0.41) HPGDEP300RECQLKMT2AMEN1
SCHEMBL8048031 0.85 PTGS2 (0.45) RECQLKMT2AALDH1A1MAPK1HTT
SCHEMBL8044703 0.85 MAPT (0.44) HPGDEP300KMT2AMEN1ALDH1A1

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