SCHEMBL8033835

SCHEMBL8033835

O=C(O)Cc1csc(Sc2nnnn2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE5A O76074 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8051833 0.86 POLB (0.54) POLBSMN1; SMN2TSHRLMNAHPGD
SCHEMBL8045341 0.81 ALDH1A1 (0.49) SMN1; SMN2TSHRLMNAHPGDHSD17B10
SCHEMBL8041886 0.80 SMN1; SMN2 (0.45) POLBSMN1; SMN2TSHRLMNAHPGD
SCHEMBL8042328 0.80 HSD17B10 (0.48) POLBSMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL8051265 0.80 TP53 (0.41) POLBSMN1; SMN2TSHRLMNAHPGD
SCHEMBL8034317 0.79 HPGD (0.51) POLBSMN1; SMN2TSHRLMNAHPGD
SCHEMBL8041793 0.79 POLB (0.43) POLBSMN1; SMN2TSHRLMNAHPGD
SCHEMBL8033936 0.78 ALDH1A1 (0.42) POLBSMN1; SMN2TSHRLMNAHPGD
SCHEMBL8032703 0.78 KMT2A (0.44) POLBSMN1; SMN2TSHRLMNAHPGD
SCHEMBL8042498 0.77 GAA (0.47) POLBSMN1; SMN2TSHRLMNAHPGD

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