SCHEMBL24439640

SCHEMBL24439640

C=CC(=O)OCCNc1ccc(SC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
ALDH1A1 P00352 8/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
RCE1 Q9Y256 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 7/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL22648161 0.84 MAPT (0.48) THRBALDH1A1MAPTTSHRHPGD
SCHEMBL3210606 0.82 ALDH1A1 (0.44) THRBALDH1A1MAPTKDM4ELMNA
SCHEMBL23409891 0.81 TSHR (0.44) THRBALDH1A1MAPTKDM4ELMNA
SCHEMBL988048 0.80 THRB (0.57) THRBALDH1A1MAPTLMNATSHR
SCHEMBL22648042 0.80 SMN1; SMN2 (0.45) THRBALDH1A1LMNATSHRHPGD
SCHEMBL23463871 0.79 THRB (0.56) THRBALDH1A1LMNATSHRHPGD
SCHEMBL17350743 0.79 SMN1; SMN2 (0.40) THRBALDH1A1MAPTKDM4ERCE1
SCHEMBL7633786 0.78 THRB (0.51) THRBALDH1A1MAPTTSHRHPGD
SCHEMBL7592166 0.78 THRB (0.43) THRBALDH1A1MAPTKDM4ETSHR
SCHEMBL2721790 0.77 THRB (0.65) THRBALDH1A1MAPTKDM4ERCE1

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-2022104137-A1 SUBSTITUTED PROPANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2022-05-19 WO disclosed