SCHEMBL2565168

SCHEMBL2565168

CCN(Cc1ccccc1)SSN(CC)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.50
MGLL Q99685 4/20 0.48
CNR2 P34972 1/20 0.47
LMNA P02545 1/20 0.47
AOC3 Q16853 2/20 0.46
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 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
SCHEMBL11749452 0.86 TSHR (0.44) TSHRALDH1A1MGLLCNR2LMNA
SCHEMBL333424 0.85 ALDH1A1 (0.52) TSHRALDH1A1MGLLLMNAAOC3
SCHEMBL21034084 0.83 TSHR (0.48) TSHRALDH1A1MGLLCNR2LMNA
SCHEMBL11744438 0.79 ALDH1A1 (0.55) TSHRALDH1A1MGLLLMNAAOC3
SCHEMBL11747592 0.77 ALDH1A1 (0.49) TSHRALDH1A1MGLLLMNAMAPK1
SCHEMBL11214749 0.73 TSHR (0.58) TSHRALDH1A1MGLLCNR2LMNA
SCHEMBL81248 0.73 HRH3 (0.65) TSHRALDH1A1CNR2LMNAAOC3
SCHEMBL375111 0.73 KDM4E (0.68) TSHRALDH1A1CNR2LMNAAOC3
Bromide SCHEMBL11663269 0.71 HRH3 (0.62) TSHRALDH1A1CNR2LMNAAOC3
SCHEMBL21087535 0.71 ALDH1A1 (0.48) TSHRALDH1A1MGLLLMNAAOC3

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
EP-2561573-A1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES Liox Power, Inc. (US) 2013-02-27 EP disclosed
WO-2011133982-A1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES LIOX POWER, INC. (US) 2011-10-27 WO disclosed