SCHEMBL8422362

SCHEMBL8422362

Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
GAA P10253 1/20 0.72
GUSB P08236 1/20 0.54
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MCL1 Q07820 1/20 0.47
IDH1 O75874 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ALPL P05186 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL8426004 0.89 GAA (0.57) SMN1; SMN2GAAGUSBMEN1KMT2A
SCHEMBL8425835 0.83 MEN1 (0.56) SMN1; SMN2GAAGUSBALDH1A1TDP1
SCHEMBL23093470 0.82 PKM (0.62) SMN1; SMN2GAAALDH1A1TDP1TSHR
SCHEMBL15658306 0.81 GUSB (0.56) SMN1; SMN2GAAGUSBALDH1A1MEN1
SCHEMBL7015594 0.81 GUSB (0.66) SMN1; SMN2GAAGUSBALDH1A1MEN1
SCHEMBL15661006 0.81 ALDH1A1 (0.61) SMN1; SMN2GAAGUSBALDH1A1TDP1
SCHEMBL29041041 0.80 ALB (0.57) SMN1; SMN2GAAGUSBALDH1A1TDP1
SCHEMBL8423976 0.79 ALDH1A1 (0.51) SMN1; SMN2GAAGUSBALDH1A1TDP1
SCHEMBL15660019 0.78 GUSB (0.56) SMN1; SMN2GAAGUSBALDH1A1MEN1
SCHEMBL15656963 0.78 GUSB (0.53) SMN1; SMN2GAAGUSBALDH1A1MEN1

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-0949238-A1 SUBSTITUTED PROPIONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed