SCHEMBL8512287

SCHEMBL8512287

CCCCN(CCCC)CCc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.55
ATP4B P51164 9/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
UBE2T Q9NPD8 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
PDE10A Q9Y233 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2034241 0.84 SMN1; SMN2 (0.62) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
SCHEMBL31173766 0.83 ALOX15 (0.60) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
Benzene SCHEMBL28273759 0.83 SMN1; SMN2 (0.65) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
SCHEMBL175532 0.83 ALOX15 (0.60) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
SCHEMBL29858270 0.81 ALOX15 (0.59) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
SCHEMBL30093449 0.81 ALOX15 (0.59) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
SCHEMBL9155744 0.81 ALOX15 (0.59) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
Hydrochloric Acid SCHEMBL3192243 0.81 ALOX15 (0.59) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
SCHEMBL11596488 0.81 ALOX15 (0.59) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T
SCHEMBL27899642 0.81 ALOX15 (0.59) L3MBTL1ALOX15HTTSMN1; SMN2UBE2T

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
US-8889031-B2 Working fluid composition for refrigerator machine and refrigerating machine oil JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-11-18 US disclosed
US-20120132848-A1 WORKING FLUID COMPOSITION FOR REFRIGERATOR MACHINE AND REFRIGERATING MACHINE OIL JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-05-31 US disclosed