SCHEMBL9852620

SCHEMBL9852620

C#CCOc1nc2cc([N+](=O)[O-])c(F)cc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
PTPN11 Q06124 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
SNCA P37840 1/20 0.32
SCD O00767 2/20 0.32
PPOX P50336 2/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGES O14684 1/20 0.31
HIF1A Q16665 1/20 0.31
RAB9A P51151 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
POLB P06746 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
SCHEMBL10445807 0.81 RIPK1 (0.40) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9852614 0.72 GFER (0.47) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9852609 0.72 PPOX (0.39) PPOX
SCHEMBL8553521 0.69 PGK1 (0.39) MAPTALDH1A1MAPK1SNCAATM
SCHEMBL21177279 0.68 SNCA (0.48) GAAMAPTALDH1A1SNCAATM
SCHEMBL25532029 0.68 ATM (0.49) GAAMAPTALDH1A1SNCAATM
SCHEMBL11117152 0.67 MAOB (0.41) MAPTMAPK1SMN1; SMN2RAB9APTGS1
SCHEMBL6968277 0.66 SMN1; SMN2 (0.55) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL31388416 0.66 GAA (0.68) GAAMAPTALDH1A1KMT2AATM
SCHEMBL31717819 0.66 GAA (0.68) GAAMAPTALDH1A1KMT2AATM

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-0444764-A1 Process and intermediates for the preparation of substituted 1-benzothiazolyl-3,4-dimethyl-3-pyrrolin-2,5(1H)-diones SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-04 EP disclosed