SCHEMBL8044245

SCHEMBL8044245

O=C(O)c1ccc2nc(Sc3nnnn3-c3ccc([N+](=O)[O-])s3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
HPGD P15428 7/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 2/20 0.42
ALDH1A1 P00352 11/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
MITF O75030 3/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 4/20 0.37
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PDK1 Q15118 1/20 0.37
MAPT P10636 9/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8044826 0.87 PDK1 (0.53) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL8047829 0.85 ALDH1A1 (0.40) MEN1KMT2AHPGDPOLBRECQL
SCHEMBL8046550 0.85 ALDH1A1 (0.40) MEN1KMT2AHPGDPOLBRECQL
SCHEMBL8042232 0.83 ALDH1A1 (0.50) MEN1KMT2AHPGDPOLBRECQL
SCHEMBL8050340 0.83 KMT2A (0.46) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL8033820 0.81 ALDH1A1 (0.49) MEN1KMT2AHPGDPOLBRECQL
SCHEMBL8042685 0.81 NFKB1 (0.42) MEN1KMT2AHPGDPOLBRECQL
SCHEMBL8044915 0.80 RECQL (0.54) MEN1KMT2AHPGDPOLBRECQL
SCHEMBL8044411 0.80 KMT2A (0.55) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL8052167 0.80 ALDH1A1 (0.41) MEN1KMT2AHPGDPOLBRECQL

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