SCHEMBL8046515

SCHEMBL8046515

O=C(O)c1cnc(Sc2nnnn2-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CPB1 P15086 1/20 0.38
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8044465 0.85 ALDH1A1 (0.51) POLBALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8048205 0.83 ALDH1A1 (0.42) POLBALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8043869 0.82 MAPT (0.42) POLBALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8046724 0.81 ALDH1A1 (0.40) POLBALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8032703 0.81 KMT2A (0.44) POLBALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8044444 0.81 ALDH1A1 (0.44) POLBALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL8041881 0.80 HSD17B10 (0.46) POLBALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8033656 0.79 ALDH1A1 (0.41) POLBALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8045818 0.79 HPGD (0.51) POLBALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8049007 0.78 KMT2A (0.45) POLBALDH1A1MAPTTP53SMN1; SMN2

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