SCHEMBL8045341

SCHEMBL8045341

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 5/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTT P42858 4/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NOTUM Q6P988 2/20 0.39
PAX8 Q06710 1/20 0.39
PIP4K2C Q8TBX8 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
SCHEMBL8033936 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT
SCHEMBL8041886 0.84 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT
SCHEMBL8043945 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPTNPSR1
SCHEMBL8048723 0.81 VCP (0.48) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT
SCHEMBL8043896 0.81 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT
SCHEMBL8033835 0.81 POLB (0.41) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT
SCHEMBL8043685 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT
SCHEMBL8052209 0.78 ALDH1A1 (0.53) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT
SCHEMBL8051524 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT
SCHEMBL8048205 0.77 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2TSHRMAPT

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