SCHEMBL8042637

SCHEMBL8042637

O=C(O)c1ccc2nc(Sc3nnnn3-c3nccs3)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.41
ALDH1A1 P00352 9/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
AKR1C3 P42330 1/20 0.40
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 6/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MITF O75030 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
RECQL P46063 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8042895 0.84 ALDH1A1 (0.40) HPGDALDH1A1KMT2AMEN1NFKB1
SCHEMBL8033976 0.83 ALDH1A1 (0.39) HPGDALDH1A1KMT2AMEN1NFKB1
SCHEMBL8033820 0.83 ALDH1A1 (0.49) HPGDALDH1A1KMT2AMEN1NFKB1
SCHEMBL8042685 0.83 NFKB1 (0.42) HPGDALDH1A1KMT2AMEN1NFKB1
SCHEMBL8044411 0.83 KMT2A (0.55) HPGDALDH1A1KMT2AMEN1NFKB1
SCHEMBL8042782 0.82 PKM (0.39) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL8044167 0.82 PDK1 (0.51) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8046744 0.81 ALDH1A1 (0.48) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL8048432 0.80 MEN1 (0.47) HPGDALDH1A1KMT2AMEN1NFKB1
SCHEMBL8047485 0.80 HPGD (0.47) HPGDALDH1A1KMT2AMEN1NFKB1

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