SCHEMBL8043591

SCHEMBL8043591

O=C(O)Cc1csc(Sc2nnnn2-c2ccc([N+](=O)[O-])s2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
MEN1 O00255 4/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
MITF O75030 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.32
ALPG P10696 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8048121 0.84 ALDH1A1 (0.36) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL8048414 0.84 LMNA (0.36) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL8047853 0.81 KMT2A (0.40) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL8049863 0.80 MAPT (0.43) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL8051292 0.79 CYP1A2 (0.38) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8051833 0.78 POLB (0.54) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL8043929 0.78 MAPK8 (0.47) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL8048135 0.77 ALDH1A1 (0.37) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL8051983 0.77 MAPT (0.39) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL8045804 0.77 KDM1A (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1

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