SCHEMBL8042553

SCHEMBL8042553

O=C(O)c1ccc2nc(Sc3nnnn3-c3ccc(Oc4ccccc4)cc3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.46
EP300 Q09472 1/20 0.43
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.41
PPARG P37231 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8044411 0.91 KMT2A (0.55) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8033820 0.90 ALDH1A1 (0.49) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8042805 0.90 ALDH1A1 (0.48) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8048432 0.86 MEN1 (0.47) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8045992 0.85 ALDH1A1 (0.58) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8051869 0.85 ALDH1A1 (0.45) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8045485 0.84 ALDH1A1 (0.57) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8042660 0.84 ALDH1A1 (0.45) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8043106 0.84 MEN1 (0.45) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8050410 0.83 ALDH1A1 (0.46) HPGDALDH1A1MEN1KMT2ATSHR

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