SCHEMBL21101771

SCHEMBL21101771

CC(=N)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
CA1 P00915 16/20 0.52
CA2 P00918 16/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CTSD P07339 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
SCHEMBL21101772 0.86 BRD4 (0.49) POLBHTTCA1CA2CTSD
SCHEMBL21101904 0.85 ALDH1A1 (0.60) POLB
SCHEMBL21101905 0.84 ALPL (0.46) POLB
SCHEMBL21101911 0.83 KDM4E (0.43) POLBCTSD
SCHEMBL21102114 0.81 LMNA (0.52) POLBCTSD
SCHEMBL21102719 0.81 POLB (0.63) POLBHTTCA1CA2CA12
SCHEMBL21101932 0.79 POLB (0.58) POLBHTTCA1CA2CA12
SCHEMBL9796331 0.79 POLB (0.68) POLBHTTCA1CA2CA12
SCHEMBL21102111 0.79 LMNA (0.59) CTSD
SCHEMBL21101769 0.79 NPC1 (0.46) POLBHTT

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