SCHEMBL9542871

SCHEMBL9542871

Cc1nc(CCS(=O)(=O)C(C)C)c([N+](=O)[O-])[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.37
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
GFER P55789 1/20 0.30

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
SCHEMBL9542124 0.83 MAPT (0.42) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL1026028 0.82 MAPT (0.41) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL8803147 0.76 MAPT (0.46) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL3469591 0.74 MAPT (0.49) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL8594839 0.74 ALDH1A1 (0.46) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL4269080 0.74 MAPT (0.49) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL9542100 0.73 ALDH1A1 (0.43) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL7801786 0.72 ALDH1A1 (0.45) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL3986231 0.72 MAPT (0.47) ALDH1A1MAPTGAAMDM2SMN1; SMN2
Hydrochloric Acid SCHEMBL4618823 0.72 MAPT (0.47) ALDH1A1MAPTGAAMDM2SMN1; 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
WO-1993020817-A1 NOVEL USE OF NITROIMIDAZOLES HYDRO PHARMA SVERIGE AB (SE) 1993-10-28 WO disclosed