SCHEMBL28028162

SCHEMBL28028162

CCCCCOc1ccc2sc(S)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.42
ATP4B P51164 5/20 0.42
PDE10A Q9Y233 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
NR5A1 Q13285 1/20 0.41
TSHR P16473 1/20 0.40
LTA4H P09960 2/20 0.40
FGFR1 P11362 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10383598 0.99 NR5A1 (0.43) ATP4AATP4BPDE10ADRD2DRD3
SCHEMBL14093807 0.99 NR5A1 (0.43) ATP4AATP4BPDE10ADRD2DRD3
SCHEMBL6690420 0.97 ATP4A (0.44) ATP4AATP4BPDE10ADRD2DRD3
SCHEMBL14093810 0.91 LMNA (0.45) ATP4AATP4BPDE10ATSHRFGFR1
SCHEMBL6691013 0.85 TSHR (0.52) ATP4AATP4BTSHRSMN1; SMN2KDM4E
SCHEMBL6692946 0.85 KMT2A (0.51) PDE10ATSHRSMN1; SMN2KDM4ENPC1
SCHEMBL12111148 0.81 PDE10A (0.56) ATP4AATP4BPDE10AFGFR1SMN1; SMN2
SCHEMBL10626206 0.79 LMNA (0.57) TSHRSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL28028721 0.79 ATP4A (0.39) ATP4AATP4BPDE10ADRD2DRD3
SCHEMBL6690979 0.78 PDK1 (0.50) ATP4AATP4BDRD2DRD3SMN1; SMN2

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-105199223-A TPV (thermoplastic vulcanizate) for automotive interior and method for manufacturing TPV ANHUI XIONGYA PLASTIC TECHNOLOGY CO LTD 2015-12-30 CN disclosed