SCHEMBL8033875

SCHEMBL8033875

COc1ccc(O)c(-c2nnc(Sc3nc4ccc([N+](=O)[O-])cc4s3)n2-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
PDK1 Q15118 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 2/20 0.41
JAK2 O60674 1/20 0.41
SCD O00767 1/20 0.40

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
SCHEMBL8043642 0.86 MAPT (0.52) MAPTHTTLMNASMN1; SMN2GAA
SCHEMBL8050309 0.86 ALDH1A1 (0.44) MAPTHTTLMNASMN1; SMN2GAA
SCHEMBL8042199 0.86 ALPG (0.46) MAPTHTTLMNAHPGDPDK1
SCHEMBL8043944 0.86 MAPT (0.54) MAPTHTTLMNAMAPK1SMN1; SMN2
SCHEMBL8045042 0.81 NPSR1 (0.46) MAPTHTTLMNAMAPK1SMN1; SMN2
SCHEMBL8042679 0.81 MAPK8 (0.43) MAPTHTTLMNAMAPK1SMN1; SMN2
SCHEMBL8710810 0.80 MAPT (0.50) MAPTHTTLMNAMAPK1SMN1; SMN2
SCHEMBL8048212 0.79 PDK1 (0.48) MAPTHTTLMNAMAPK1SMN1; SMN2
SCHEMBL8047056 0.79 TSHR (0.48) MAPTHTTLMNAMAPK1SMN1; SMN2
SCHEMBL8051667 0.79 PDK1 (0.48) MAPTHTTLMNAMAPK1SMN1; SMN2

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