SCHEMBL1920177

SCHEMBL1920177

COc1ccc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)C(C(=O)O)c2cc(OC)ccc2S(=O)(=O)N(CC(=O)N2CCCC2c2ccccc2)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.42
UTS2R Q9UKP6 2/20 0.41
MAPT P10636 3/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 3/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
PKM P14618 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL1920797 0.96 ALDH1A1 (0.42) HTTHPGDALDH1A1USP2KMT2A
SCHEMBL1920824 0.91 KMT2A (0.43) HTTALDH1A1KMT2AUTS2RMAPT
SCHEMBL1920870 0.89 OXTR (0.46) HTTALDH1A1KMT2AMAPTKEAP1
SCHEMBL1920825 0.89 KMT2A (0.45) HTTALDH1A1KMT2AUTS2RMAPT
SCHEMBL1631700 0.88 HTT (0.55) HTTHPGDALDH1A1USP2KMT2A
SCHEMBL1920685 0.88 KMT2A (0.41) HTTALDH1A1KMT2AMAPTKEAP1
SCHEMBL1920350 0.87 MAPT (0.43) HTTALDH1A1KMT2AMAPTKEAP1
SCHEMBL1919930 0.87 MDM4 (0.39) HTTALDH1A1KMT2AMAPTKEAP1
SCHEMBL1920212 0.86 CRHBP (0.44) HTTALDH1A1KMT2AMAPTKEAP1
SCHEMBL1920366 0.84 MDM4 (0.42) HTTALDH1A1KMT2AMAPTKEAP1

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