SCHEMBL8803147

SCHEMBL8803147

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.40
MDM2 Q00987 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GFER P55789 1/20 0.34
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4269080 0.84 MAPT (0.49) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8594839 0.84 ALDH1A1 (0.46) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL3469591 0.84 MAPT (0.49) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL7801786 0.81 ALDH1A1 (0.45) MAPTALDH1A1GAAMDM2SMN1; SMN2
Hydrochloric Acid SCHEMBL4618823 0.81 MAPT (0.47) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL3986231 0.81 MAPT (0.47) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL9542124 0.80 MAPT (0.42) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL4413021 0.79 MAPT (0.44) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8663859 0.79 MAPT (0.47) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL1026028 0.78 MAPT (0.41) MAPTALDH1A1GAAMDM2SMN1; 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
EP-0772593-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-05-14 EP disclosed