SCHEMBL8045514

SCHEMBL8045514

O=C(O)c1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
EP300 Q09472 1/20 0.52
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 3/20 0.49
PPARG P37231 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 2/20 0.49
RECQL P46063 1/20 0.48
CSNK2A1 P68400 1/20 0.46
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
UBE2M P61081 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.44

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
SCHEMBL8044888 0.90 MEN1 (0.53) HPGDEP300MEN1KMT2APOLB
SCHEMBL8044812 0.88 ALDH1A1 (0.52) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL8046294 0.85 UBE2M (0.45) HPGDKMT2APOLBALDH1A1MAPK1
SCHEMBL8043968 0.85 MEN1 (0.45) HPGDEP300MEN1KMT2APOLB
SCHEMBL8042159 0.83 RAB9A (0.47) HPGDMEN1KMT2AALDH1A1MAPK1
SCHEMBL8042528 0.83 ALDH1A1 (0.45) HPGDKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL8032329 0.83 RECQL (0.53) HPGDEP300MEN1KMT2APOLB
SCHEMBL8043233 0.83 PTGS2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8034319 0.82 ALDH1A1 (0.51) HPGDMEN1KMT2AALDH1A1MAPK1
SCHEMBL8044654 0.82 MAPT (0.44) HPGDMEN1KMT2APOLBALDH1A1

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