SCHEMBL22891787

SCHEMBL22891787

Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(C(=O)OCOC(=O)OC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 6/20 0.48
LMNA P02545 5/20 0.48
ERAP1 Q9NZ08 1/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.42
HCRTR1 O43613 1/20 0.42
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM1A O60341 1/20 0.40
HSD17B2 P37059 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL29670020 0.87 ERAP1 (0.46) NPSR1ALDH1A1LMNAERAP1HTT
SCHEMBL29669997 0.82 NPSR1 (0.49) NPSR1ALDH1A1LMNAERAP1HTT
SCHEMBL22891786 0.82 NPSR1 (0.49) NPSR1ALDH1A1LMNAERAP1HTT
SCHEMBL22891788 0.82 GPR35 (0.36) NPSR1ALDH1A1KMT2AGAAHPGD
SCHEMBL23022352 0.80 CYP2C9 (0.57) NPSR1ALDH1A1LMNAERAP1HTT
SCHEMBL22653516 0.76 ERAP1 (0.66) ALDH1A1LMNAERAP1HTTKMT2A
SCHEMBL395600 0.70 HIF1A (0.61) NPSR1ALDH1A1LMNAHTTKMT2A
SCHEMBL7458365 0.68 MEN1 (0.64) ERAP1KMT2AGAA
SCHEMBL17978539 0.67 NPSR1 (0.56) NPSR1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL7578595 0.67 NPSR1 (0.72) NPSR1ALDH1A1LMNAKMT2APOLB

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-2021007474-A1 PHENYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS CURA THERAPEUTICS, LLC (US) 2021-01-14 WO disclosed