SCHEMBL7255199

SCHEMBL7255199

CC(C)(SC(C[N+](=O)[O-])c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
CPA1 P15085 3/20 0.41
NPC1 O15118 2/20 0.40
ADAM17 P78536 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
HSP90AA1 P07900 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7254843 0.89 MAPT (0.51) NPSR1MAPTTDP1KDM4EMAPK1
SCHEMBL7255758 0.87 SERPINH1 (0.50) NPSR1MAPTTDP1KDM4EMAPK1
SCHEMBL7254972 0.85 SERPINH1 (0.54) NPSR1MAPTTDP1KDM4EMAPK1
SCHEMBL7254970 0.78 ALDH1A1 (0.54) NPSR1MAPTKDM4EMAPK1ALDH1A1
SCHEMBL1036342 0.76 MAPK1 (0.66) NPSR1MAPTTDP1KDM4EMAPK1
SCHEMBL4725978 0.76 MAPK1 (0.66) NPSR1MAPTTDP1KDM4EMAPK1
SCHEMBL7254921 0.75 NPSR1 (0.50) NPSR1MAPTTDP1KDM4EMAPK1
SCHEMBL7606395 0.74 MAPT (0.52) NPSR1MAPTTDP1KDM4EMAPK1
SCHEMBL8612121 0.73 SLC6A3 (0.44) MAPK1KMT2AATM
SCHEMBL7607403 0.71 NPSR1 (0.47) NPSR1MAPTTDP1KDM4EMAPK1

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