SCHEMBL28001092

SCHEMBL28001092

CCCCC(CC)CNS(=O)(=O)c1c[c]c(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 4/20 0.39
CYP3A4 P08684 1/20 0.39
GBA1 P04062 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.35
CA2 P00918 5/20 0.35
CA1 P00915 4/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL28001434 0.85 ALDH1A1 (0.43) ALDH1A1NPSR1TSHRCYP3A4KDM4E
SCHEMBL3469704 0.83 GBA1 (0.55) ALDH1A1NPSR1TSHRCYP3A4GBA1
SCHEMBL10613932 0.80 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRCYP3A4GBA1
SCHEMBL11136790 0.80 CA12 (0.56) ALDH1A1NPSR1TSHRCYP3A4GBA1
SCHEMBL226294 0.79 ALDH1A1 (0.51) ALDH1A1NPSR1TSHRCYP3A4GBA1
SCHEMBL29187835 0.77 ALDH1A1 (0.56) ALDH1A1NPSR1TSHRHTTGAA
SCHEMBL14337529 0.76 CYP2C9 (0.58) ALDH1A1NPSR1HTTGAAMAPT
SCHEMBL10613925 0.74 ALDH1A1 (0.42) ALDH1A1NPSR1TSHRCYP3A4KDM4E
SCHEMBL10689215 0.73 ALDH1A1 (0.48) ALDH1A1NPSR1TSHRCYP3A4GBA1
SCHEMBL4716454 0.72 TSHR (0.43) ALDH1A1NPSR1TSHRCYP3A4KDM4E

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
CN-104345566-A Coloring composition, coloring immobilizing membrane and display element JSR CORP 2015-02-11 CN disclosed