SCHEMBL8044141

SCHEMBL8044141

O=C(O)c1ccc2nc(Sc3nnnn3CCc3ccccc3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
MAPT P10636 8/20 0.48
HPGD P15428 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 4/20 0.44
POLB P06746 2/20 0.43
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5C P41229 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
SCHEMBL8052166 0.90 ALDH1A1 (0.58) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8048558 0.87 HCAR3 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8042861 0.85 HCAR3 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8050451 0.85 MAPT (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8050220 0.85 MAPT (0.43) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8050578 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8042096 0.83 PDK1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8033934 0.83 ALDH1A1 (0.45) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8050295 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8043375 0.81 SMN1; SMN2 (0.45) ALDH1A1MAPTHPGDMEN1KMT2A

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