SCHEMBL21947693

SCHEMBL21947693

CCCCC(=O)N1CCC(S)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 9/20 0.58
GNAI1 P63096 9/20 0.58
GNAO1 P09471 8/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.45
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL21947715 0.95 GNAI3 (0.66) GNAI3GNAI1GNAO1L3MBTL1NPC1
SCHEMBL7485454 0.83 GNAI3 (0.60) GNAI3GNAI1GNAO1L3MBTL1NPC1
SCHEMBL9062091 0.83 NPC1 (0.81) GNAI3GNAI1GNAO1L3MBTL1NPC1
SCHEMBL673399 0.82
SCHEMBL9224930 0.81 GNAI3 (0.84) GNAI3GNAI1GNAO1L3MBTL1NPC1
SCHEMBL27429180 0.81 GNAI3 (0.60) GNAI3GNAI1GNAO1L3MBTL1NPC1
SCHEMBL12841072 0.80 EPHX2 (0.51) NPC1ALDH1A1
SCHEMBL22874721 0.80 GNAI3 (0.57) GNAI3GNAI1GNAO1L3MBTL1NPC1
SCHEMBL27429182 0.80 GNAI3 (0.57) GNAI3GNAI1GNAO1L3MBTL1NPC1
SCHEMBL13773022 0.80 GNAI3 (0.68) GNAI3GNAI1GNAO1L3MBTL1NPC1

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed