SCHEMBL21101747

SCHEMBL21101747

Cc1ccc(S(=O)(=O)N(C)C)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
RECQL P46063 2/20 0.50
ALDH1A1 P00352 12/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
THRB P10828 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
VCAM1 P19320 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15077045 0.79 HTT (0.51) LMNAALDH1A1HTTGAASMN1; SMN2
SCHEMBL16306950 0.79 VCAM1 (0.43) LMNARECQLALDH1A1HTTMAPT
SCHEMBL19255842 0.79 LMNA (0.57) LMNAALDH1A1HTTMAPTNPSR1
SCHEMBL15077326 0.78 HTT (0.50) LMNAALDH1A1HTTMAPTGAA
SCHEMBL22368467 0.78 HTT (0.50) LMNAALDH1A1HTTMAPTGAA
SCHEMBL17417188 0.78 HTT (0.54) LMNAALDH1A1HTTMAPTGAA
SCHEMBL16022237 0.77 ALDH1A1 (0.42) LMNAALDH1A1HTTMAPTGAA
SCHEMBL16807785 0.76 HTT (0.49) LMNAALDH1A1HTTMAPTGAA
SCHEMBL24321567 0.75 HTT (0.48) LMNAALDH1A1HTTMAPTGAA
SCHEMBL21102036 0.75 LMNA (0.61) LMNAALDH1A1HTTGAAVCAM1

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-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed