SCHEMBL9488402

SCHEMBL9488402

COC(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.63
SLC6A4 P31645 3/20 0.63
SLC6A2 P23975 1/20 0.56
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
BRAF P15056 1/20 0.49
POLB P06746 2/20 0.49
AR P10275 1/20 0.47
ROCK2 O75116 1/20 0.47
CSF1R P07333 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
ROCK1 Q13464 1/20 0.47

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
SCHEMBL7640668 0.84 MAPT (0.57) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6432585 0.84 SLC6A4 (0.56) SLC6A3SLC6A4SLC6A2MAPTSMN1; SMN2
SCHEMBL29441710 0.84 SLC6A4 (0.56) SLC6A3SLC6A4SLC6A2MAPTSMN1; SMN2
SCHEMBL11816175 0.83 GUSB (0.56) MAPTSMN1; SMN2GAABRAFGSK3B
SCHEMBL6438984 0.83 MAPK1 (0.53) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL10924211 0.82 MAPT (0.56) MAPTSMN1; SMN2KMT2AGAAPOLB
SCHEMBL5935194 0.82 PTGDR2 (0.54) SLC6A3SLC6A4MAPTMEN1KMT2A
SCHEMBL15229768 0.82 MYC (0.55) SLC6A3SLC6A4MAPTSMN1; SMN2MEN1
SCHEMBL30338973 0.82 PTGDR2 (0.54) SLC6A3SLC6A4MAPTMEN1KMT2A
SCHEMBL28914441 0.82 POLB (0.57) MAPTSMN1; SMN2HTTPOLBAR

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
CN-103183623-A A group of benzene sulfonamido benzamide derivatives, and preparation and application thereof INST MEDICINAL BIOTECHNOLOGY 2013-07-03 CN disclosed
US-5187168-A Hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-16 US disclosed