SCHEMBL8043869

SCHEMBL8043869

O=C(Nc1cnc(Sc2nnnn2-c2cccc(C(F)(F)F)c2)s1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CSF1R P07333 4/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.41
KCNK3 O14649 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 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
SCHEMBL8050828 0.88 ALDH1A1 (0.48) MAPTGAAPOLBLMNAHPGD
SCHEMBL8042810 0.84 ALDH1A1 (0.43) MAPTLMNAHPGDKMT2AALDH1A1
SCHEMBL8042692 0.83 POLB (0.46) MAPTGAAPOLBLMNAHPGD
SCHEMBL8046515 0.82 POLB (0.45) MAPTNPSR1GAAPOLBLMNA
SCHEMBL8051515 0.82 HPGD (0.49) MAPTNPSR1POLBLMNAHPGD
SCHEMBL8042315 0.82 KMT2A (0.46) MAPTNPSR1POLBLMNAHPGD
SCHEMBL8050355 0.80 MAPT (0.44) MAPTGAALMNAHPGDKMT2A
SCHEMBL8048023 0.80 ALDH1A1 (0.42) MAPTLMNAHPGDKMT2AALDH1A1
SCHEMBL8043280 0.79 MAPT (0.41) MAPTPOLBKCNK3LMNAHPGD
SCHEMBL8048593 0.79 CYP1A2 (0.52) MAPTLMNAHPGDKMT2AALDH1A1

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