SCHEMBL8042818

SCHEMBL8042818

CS(=O)(=O)CCCCCn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nnc1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
MAPT P10636 8/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL8042112 0.89 CSNK1D (0.39) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL8043389 0.86 PDK1 (0.44) PDK1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8048102 0.86 MAPT (0.45) PDK1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8041811 0.86 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL8033172 0.85 MAPT (0.38) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL8051768 0.83 PDK1 (0.51) PDK1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8050255 0.83 MAPT (0.46) PDK1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8050094 0.80 NPC1 (0.44) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL8046025 0.80 PDK1 (0.47) PDK1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8044219 0.78 TSHR (0.38) ALDH1A1SMN1; SMN2HTTKMT2AMEN1

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