SCHEMBL21101778

SCHEMBL21101778

CC(=N)NCC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)O)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
THRB P10828 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 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
SCHEMBL21101906 0.78 KDM4E (0.66) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL21102114 0.77 LMNA (0.52) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL21102111 0.76 LMNA (0.59) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL21101771 0.76 POLB (0.55) HTT
SCHEMBL2706475 0.75 TSHR (0.60) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2706478 0.75 TSHR (0.60) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL21101772 0.74 BRD4 (0.49) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL21101911 0.74 KDM4E (0.43) KDM4EALDH1A1LMNA
SCHEMBL21101904 0.74 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAL3MBTL1THRB
SCHEMBL21101905 0.73 ALPL (0.46) ALDH1A1LMNA

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