SCHEMBL8425835

SCHEMBL8425835

Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
GUSB P08236 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 4/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.53
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
NFKBIA P25963 1/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
RELA Q04206 1/20 0.50
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.49
ALPL P05186 1/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL259390 0.86 MEN1 (0.66) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL7015594 0.85 GUSB (0.66) MEN1KMT2AGUSBSMN1; SMN2MAPT
SCHEMBL15660019 0.85 GUSB (0.56) MEN1KMT2AGUSBSMN1; SMN2MAPT
SCHEMBL28270327 0.85 GUSB (0.56) MEN1KMT2AGUSBSMN1; SMN2MAPT
SCHEMBL2240841 0.84 ALPL (0.69) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL8269554 0.84 GUSB (0.53) MEN1KMT2AGUSBSMN1; SMN2MAPT
SCHEMBL8422362 0.83 SMN1; SMN2 (0.72) MEN1KMT2AGUSBSMN1; SMN2MAPT
SCHEMBL2243550 0.82 CA2 (0.68) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL25754681 0.81 MEN1 (0.73) MEN1KMT2ASMN1; SMN2GAAL3MBTL1
SCHEMBL27523224 0.81 ALDH1A1 (0.55) MEN1KMT2AGUSBSMN1; SMN2MAPK1

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