SCHEMBL8050255

SCHEMBL8050255

O=[N+]([O-])c1ccc2nc(Sc3nnc(-c4cccs4)n3CCc3ccccc3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDK1 Q15118 1/20 0.45
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GALR3 O60755 1/20 0.40
POLB P06746 1/20 0.40
ESR2 Q92731 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
USP2 O75604 3/20 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
SCHEMBL8043389 0.85 PDK1 (0.44) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8048102 0.85 MAPT (0.45) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8051768 0.85 PDK1 (0.51) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8046372 0.85 RAB9A (0.41) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8043994 0.85 ALDH1A1 (0.53) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8048043 0.84 CPB1 (0.43) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8047056 0.84 TSHR (0.48) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8042818 0.83 PDK1 (0.42) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8050258 0.81 ALDH1A1 (0.49) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8051251 0.79 PDK1 (0.43) MAPTALDH1A1HTTSMN1; SMN2MEN1

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