SCHEMBL8048102

SCHEMBL8048102

COCCCn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nnc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TSHR P16473 2/20 0.44
PDK1 Q15118 1/20 0.44
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
MAOA P21397 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38

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 0.89 PDK1 (0.44) MAPTHTTLMNAMAPK1MEN1
SCHEMBL8042818 0.86 PDK1 (0.42) MAPTHTTLMNAMAPK1MEN1
SCHEMBL8044044 0.86 KMT2A (0.45) MAPTHTTLMNAMEN1KMT2A
SCHEMBL8051768 0.85 PDK1 (0.51) MAPTHTTLMNAMAPK1MEN1
SCHEMBL8050255 0.85 MAPT (0.46) MAPTHTTLMNAMAPK1MEN1
SCHEMBL8041892 0.84 MEN1 (0.49) MAPTHTTLMNAMAPK1MEN1
SCHEMBL8047245 0.84 KDM4E (0.54) MAPTHTTLMNAMAPK1MEN1
SCHEMBL8045042 0.80 NPSR1 (0.46) MAPTHTTLMNAMAPK1MEN1
SCHEMBL8047056 0.79 TSHR (0.48) MAPTHTTLMNAMAPK1MEN1
SCHEMBL8044740 0.79 MEN1 (0.48) MAPTHTTLMNAMAPK1MEN1

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