SCHEMBL21101766

SCHEMBL21101766

CCC(=O)Nc1cc(S(=O)(=O)NC)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
LMNA P02545 3/20 0.51
POLB P06746 4/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MGAT2 Q10469 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CTSD P07339 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
APOBEC3A P31941 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GFER P55789 1/20 0.45
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL21101762 0.85 ALDH1A1 (0.55) LMNAPOLBATMALDH1A1SMN1; SMN2
SCHEMBL21102719 0.84 POLB (0.63) POLBALDH1A1CTSDMAPTPKM
SCHEMBL21102116 0.82 BRD4 (0.49) BRD4LMNAPOLBMGAT2SMN1; SMN2
SCHEMBL21101772 0.81 BRD4 (0.49) BRD4LMNAPOLBALDH1A1MGAT2
SCHEMBL21101777 0.81 LMNA (0.53) BRD4LMNAPOLBALDH1A1NPSR1
SCHEMBL23591990 0.78 LMNA (0.54) BRD4LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL1101999 0.76 ATM (0.72) POLBATMALDH1A1SMN1; SMN2MEN1
SCHEMBL13752250 0.76 HDAC3 (0.64) BRD4LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL12971593 0.74 POLB (0.58) POLBATMALDH1A1SMN1; SMN2MEN1
SCHEMBL21902832 0.73 NPC1 (0.52) LMNAPOLBALDH1A1SMN1; SMN2NPSR1

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