SCHEMBL8050834

SCHEMBL8050834

Cn1cnnc1Sc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.46
FBP1 P09467 4/20 0.42
PDK1 Q15118 1/20 0.42
CBLB Q13191 1/20 0.37
HTR7 P34969 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.34
FLT3 P36888 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL8038016 0.73 HTT (0.46) FBP1PDK1HSD17B10LMNAPIP4K2C
SCHEMBL8044648 0.73 HSD17B10 (0.50) GCKCBLBHSD17B10LMNAALDH1A1
SCHEMBL8043084 0.73 FBP1 (0.42) FBP1PDK1HTR7LMNAFLT3
SCHEMBL8047637 0.71 LMNA (0.39) GCKCBLBHSD17B10LMNAPIP4K2C
SCHEMBL7114230 0.71 FBP1 (0.70) FBP1PDK1HTR7HSD17B10FLT3
SCHEMBL8047257 0.70 FBP1 (0.39) FBP1PDK1HTR7FLT3KDM1A
SCHEMBL8043181 0.69 KDM4E (0.63) HSD17B10LMNAALDH1A1
SCHEMBL19160378 0.69 GCK (0.47) GCKHSD17B10LMNAPIP4K2CALDH1A1
SCHEMBL8045352 0.68 ALOX15 (0.41) FBP1PDK1HTR7HSD17B10LMNA
SCHEMBL8043693 0.68 PIP4K2C (0.38) GCKHSD17B10LMNAPIP4K2CALDH1A1

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