SCHEMBL8043834

SCHEMBL8043834

CC(C)(C)n1nnnc1Sc1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.39
PDK1 Q15118 1/20 0.39
HTR7 P34969 1/20 0.34
FDPS P14324 1/20 0.34
NPSR1 Q6W5P4 4/20 0.32
FLT3 P36888 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 3/20 0.31
USP2 O75604 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 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
SCHEMBL8038016 0.80 HTT (0.46) FBP1PDK1NPSR1ALDH1A1TSHR
SCHEMBL8032325 0.76 SMN1; SMN2 (0.36) NPSR1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8042471 0.76 ALDH1A1 (0.47) FBP1PDK1HTR7NPSR1KDM1A
SCHEMBL8048086 0.76 FBP1 (0.39) FBP1PDK1HTR7FDPSNPSR1
SCHEMBL8044697 0.74 HSD17B10 (0.43) FBP1NPSR1ALDH1A1TSHRUSP2
SCHEMBL8045872 0.74 FBP1 (0.40) FBP1PDK1HTR7FDPSNPSR1
SCHEMBL8051237 0.74 SMN1; SMN2 (0.30) TSHRUSP2SMN1; SMN2
SCHEMBL8045352 0.74 ALOX15 (0.41) FBP1PDK1HTR7NPSR1ALDH1A1
SCHEMBL8043030 0.71 HTT (0.42) FBP1PDK1NPSR1ALDH1A1TSHR
SCHEMBL8032540 0.71 ALDH1A1 (0.53) NPSR1ALDH1A1TSHRUSP2LMNA

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