SCHEMBL8047637

SCHEMBL8047637

Cn1cnnc1Sc1ncc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
GCK P35557 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CASP6 P55212 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CBLB Q13191 1/20 0.33
USP7 Q93009 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.31

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
SCHEMBL8043693 0.78 PIP4K2C (0.38) LMNAGCKL3MBTL1CASP6TDP1
SCHEMBL8033687 0.77 RXRA (0.43) LMNAGCKL3MBTL1CASP6TDP1
SCHEMBL7823341 0.76 TDP1 (0.56) L3MBTL1CASP6TDP1SMN1; SMN2ALDH1A1
SCHEMBL8032709 0.75 HTT (0.41) LMNAL3MBTL1TDP1TP53SMN1; SMN2
SCHEMBL8041815 0.72 MEN1 (0.33) USP7
SCHEMBL8050834 0.71 GCK (0.46) LMNAGCKCBLBHSD17B10ALDH1A1
SCHEMBL8044080 0.70 ALDH1A1 (0.40) LMNATP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8042151 0.69 CYP1A2 (0.37) TDP1SMN1; SMN2ALDH1A1
SCHEMBL8051237 0.69 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL8044897 0.69 ALDH1A1 (0.45) LMNAL3MBTL1TP53SMN1; SMN2HSD17B10

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 1 patent. 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