SCHEMBL20204699

SCHEMBL20204699

CCCCCN1CCN(C)C1=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GNAI3 P08754 3/20 0.38
GNAO1 P09471 3/20 0.38
GNAI1 P63096 3/20 0.38
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GBA1 P04062 1/20 0.34
EEF2K O00418 1/20 0.33
ALOX5 P09917 2/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL8146239 0.87 MEN1 (0.47) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL22972986 0.85 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL8034075 0.82 KMT2A (0.55) MEN1KMT2AALDH1A1GAATHRB
SCHEMBL20204676 0.79 MEN1 (0.41) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL4398429 0.78
SCHEMBL20201643 0.77 MEN1 (0.40) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL4421020 0.75 GBA1 (0.41) GNAI3GNAO1GNAI1ALDH1A1GAA
SCHEMBL18603297 0.74 MEN1 (0.31) MEN1KMT2A
SCHEMBL24420748 0.73 GNAI3 (0.41) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL10721244 0.73 GBA1 (0.44) GNAI3GNAO1GNAI1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed