SCHEMBL8048432

SCHEMBL8048432

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.44
RECQL P46063 1/20 0.43
EP300 Q09472 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARA Q07869 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8033820 0.94 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8044411 0.91 KMT2A (0.55) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8051869 0.88 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8042660 0.87 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8043106 0.87 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8042805 0.87 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8044961 0.86 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8042553 0.86 HPGD (0.48) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8046550 0.85 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8047485 0.83 HPGD (0.47) MEN1KMT2AALDH1A1HPGDPOLB

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