SCHEMBL1920366

SCHEMBL1920366

COc1ccc(N(CC(=O)N2CCCC2c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2C(C(=O)O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
MAPT P10636 6/20 0.41
OXTR P30559 3/20 0.41
AVPR1A P37288 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
KEAP1 Q14145 5/20 0.40
NFE2L2 Q16236 5/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1920350 0.97 MAPT (0.43) MDM4MDM2MAPTOXTRAVPR1A
SCHEMBL1920294 0.97 MDM4 (0.48) MDM4MDM2MAPTOXTRAVPR1A
SCHEMBL1919930 0.95 MDM4 (0.39) MDM4MDM2MAPTOXTRAVPR1A
SCHEMBL1920870 0.94 OXTR (0.46) MAPTOXTRAVPR1ANPSR1ALDH1A1
SCHEMBL1920825 0.93 KMT2A (0.45) MDM4MDM2MAPTOXTRAVPR1A
SCHEMBL1920685 0.93 KMT2A (0.41) MDM4MDM2MAPTOXTRAVPR1A
SCHEMBL1920212 0.90 CRHBP (0.44) MDM4MDM2MAPTOXTRAVPR1A
SCHEMBL1920797 0.90 ALDH1A1 (0.42) MAPTNPSR1ALDH1A1LMNAMAPK1
SCHEMBL1920824 0.89 KMT2A (0.43) MDM4MDM2MAPTOXTRAVPR1A
SCHEMBL1921822 0.88 MDM4 (0.40) MDM4MDM2MAPTOXTRAVPR1A

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
EP-2245006-B1 SULFONAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-01 EP disclosed