SCHEMBL8048028

SCHEMBL8048028

CN(C)c1ccc(-n2nnnc2Sc2nc(-c3ccc(Cl)cc3)cs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 3/20 0.43
TP53 P04637 2/20 0.43
JAK2 O60674 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PTGS2 P35354 6/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.39

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
SCHEMBL8044654 0.89 MAPT (0.44) KMT2ALMNAMEN1MAPTHSD17B10
SCHEMBL8044092 0.86 KMT2A (0.45) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL8033588 0.86 HSD17B10 (0.45) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL8041897 0.85 ALDH1A1 (0.47) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL8049946 0.85 ALOX5 (0.47) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL8044888 0.82 MEN1 (0.53) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL8043941 0.82 PTGS2 (0.37) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL8050817 0.81 PTGS2 (0.57) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL8042535 0.81 PTGS2 (0.44) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL8044564 0.79 CYP19A1 (0.48) KMT2ALMNAMEN1CYP1A2CYP3A4

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