SCHEMBL27925545

SCHEMBL27925545

CC(C)(C)c1ccc(-n2nc(O)cc2C(F)(F)F)cc1.[MgH2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
PDPK1 O15530 2/20 0.41
ORAI1 Q96D31 3/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
S1PR4 O95977 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
TRPC3 Q13507 3/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL27720508 0.79 PTGS1 (0.46) SMN1; SMN2ALDH1A1KDM4EMAPTPTGS2
SCHEMBL27944811 0.78 PTGS1 (0.45) SMN1; SMN2ALDH1A1KDM4EMAPTPTGS2
SCHEMBL23402034 0.74 CNR1 (0.52) SMN1; SMN2CNR1CNR2ALDH1A1NPC1
SCHEMBL23401799 0.72 ALDH1A1 (0.64) CNR1CNR2ALDH1A1NPC1MAPK1
SCHEMBL27741431 0.72 FABP3 (0.52) PDPK1ALDH1A1NPC1PTGS2PTGS1
SCHEMBL27944780 0.71 PRKCZ (0.55) SMN1; SMN2PDPK1PTGS2PTGS1ATM
SCHEMBL27925455 0.71 FABP3 (0.51) PDPK1ALDH1A1NPC1PTGS2PTGS1
SCHEMBL597566 0.70 ALDH1A1 (0.45) SMN1; SMN2ORAI1ALDH1A1KDM4EMAPT
SCHEMBL12859448 0.69 CNR1 (0.53) CNR1CNR2PDPK1ALDH1A1KDM4E
SCHEMBL15420349 0.68 ORAI1 (0.53) ORAI1ALDH1A1KDM4EMAPTTRPC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103351341-B A kind of organic metal chelate complex and preparation method thereof and application CHIEN-SHIUNG INSTITUTE OF TECHNOLOGY (CN) 2015-09-09 CN claimed
CN-103351341-A Organic metal chelate, its preparation method and application CHIEN SHIUNG INST TECHNOLOGY 2013-10-16 CN claimed
CN-103351341-B A kind of organic metal chelate complex and preparation method thereof and application CHIEN-SHIUNG INSTITUTE OF TECHNOLOGY (CN) 2015-09-09 CN disclosed
CN-103351341-A Organic metal chelate, its preparation method and application CHIEN SHIUNG INST TECHNOLOGY 2013-10-16 CN disclosed