SCHEMBL7824587

SCHEMBL7824587

CC(Sc1ncccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 5/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
PDE10A Q9Y233 1/20 0.42
LMNA P02545 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CTSB P07858 2/20 0.41
NPC1 O15118 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
BRD4 O60885 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL28358902 0.83 MEN1 (0.54) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL21046083 0.78 KMT2A (0.59) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL13021077 0.78 MEN1 (0.49) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL8941930 0.76 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL28021226 0.75 MEN1 (0.58) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL4988971 0.75 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL27873025 0.75 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL70297 0.74 MEN1 (0.61) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL29627490 0.74 MEN1 (0.61) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL6849222 0.74 MEN1 (0.71) MEN1KMT2ASMN1; SMN2GAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4755509-A Heterocyclic aldose reductase inhibitors and methods of using them Carbipem (FR) 1988-07-05 US disclosed