SCHEMBL8043014

SCHEMBL8043014

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.41
EP300 Q09472 1/20 0.41
PPARG P37231 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 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
SCHEMBL8052304 0.89 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8033820 0.88 ALDH1A1 (0.49) RECQLMEN1KMT2AALDH1A1HPGD
SCHEMBL8048328 0.87 PKM (0.41) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8033160 0.87 PKM (0.51) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8044961 0.87 MEN1 (0.44) RECQLMEN1KMT2AALDH1A1HPGD
SCHEMBL8032424 0.87 PKM (0.45) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8045105 0.86 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8035046 0.86 PTGS2 (0.53) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8050176 0.86 PTGS2 (0.53) MEN1KMT2AALDH1A1HPGDRXFP1
SCHEMBL8050410 0.85 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDKDM4E

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