SCHEMBL7480796

SCHEMBL7480796

O=C(O)C1CC(=NO)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
EDNRA P25101 2/20 0.42
EDNRB P24530 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7480793 1.00 ALDH1A1 (0.45) ALDH1A1EDNRAEDNRBCYP1A2CYP2C19
SCHEMBL7428719 0.81 PKM (0.39) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL916737 0.77 ALDH1A1 (0.53) ALDH1A1EDNRAEDNRBMEN1KMT2A
SCHEMBL28850201 0.77 ALDH1A1 (0.53) ALDH1A1EDNRAEDNRBMEN1KMT2A
SCHEMBL11013839 0.74 FGFR1 (0.42) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL8886472 0.74 FGFR1 (0.42) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL8886471 0.74 FGFR1 (0.42) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL25248267 0.73 NOTUM (0.40) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL782668 0.73 NOTUM (0.40) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL782667 0.73 NOTUM (0.40) ALDH1A1CYP1A2CYP2C19MEN1KMT2A

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-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed