SCHEMBL7260650

SCHEMBL7260650

CCOC(=O)C(C)SCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 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
SCHEMBL7260820 0.85 MAPT (0.42) L3MBTL1KMT2AALDH1A1MAPK1CYP2C19
SCHEMBL7254918 0.84 POLB (0.47) MEN1KMT2APOLBCYP2C19
SCHEMBL4656789 0.80 L3MBTL1 (0.51) L3MBTL1MEN1KMT2AMAOBALDH1A1
SCHEMBL5186243 0.79 ALDH1A1 (0.51) MEN1KMT2AMAOBALDH1A1POLB
SCHEMBL7058019 0.79 L3MBTL1 (0.62) L3MBTL1MEN1KMT2AMAOBALDH1A1
SCHEMBL30619954 0.77 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AMAOBALDH1A1
SCHEMBL1572954 0.77 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AMAOBALDH1A1
SCHEMBL29212213 0.76 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AMAOBALDH1A1
SCHEMBL27973235 0.76 L3MBTL1 (0.66) L3MBTL1MEN1KMT2AMAOBALDH1A1
SCHEMBL7260648 0.76 ALDH1A1 (0.56) L3MBTL1MEN1KMT2AALDH1A1POLB

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
WO-2003029188-A2 BETA-SUBSTITUTED NITROSTYRENE AND CYANOSTYRENE COMPOUNDS AND THEIR USE AS NEMATICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed