SCHEMBL29396629

SCHEMBL29396629

CSc1cc(Oc2ccnc(NS(C)(=O)=O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IKBKB O14920 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.35
PIN1 Q13526 1/20 0.35
GAA P10253 1/20 0.34
SLC6A4 P31645 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MLNR O43193 1/20 0.34
MMP1 P03956 1/20 0.34
MPO P05164 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL29397232 0.82 MEN1 (0.44) LMNAMEN1KMT2AGCK
SCHEMBL28707073 0.81 KDM4E (0.39) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL28706559 0.79 NOS3 (0.42) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL29394408 0.79 NOS3 (0.42) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL29397856 0.78 PDE7A (0.45) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL28708361 0.78 PDE7A (0.45) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2566864 0.78 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL28690813 0.74 NPC1 (0.43) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2559700 0.70 MAPK14 (0.46) LMNAMEN1KMT2AGCK
SCHEMBL28708289 0.70 TDP1 (0.41) HTTALDH1A1MAPTHPGDMAPK1

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
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed