SCHEMBL28296734

SCHEMBL28296734

CCCCC(C)Nc1nc(Cl)ncc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.45
PGK1 P00558 1/20 0.42
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RPS6KB1 P23443 1/20 0.35
CSK P41240 1/20 0.35
BTK Q06187 1/20 0.35
ERBB4 Q15303 1/20 0.35
CAMK1G Q96NX5 1/20 0.35
CCR4 P51679 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
STK17A Q9UEE5 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32

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
SCHEMBL28296733 1.00 TRPM8 (0.45) TRPM8PGK1IDO1SMN1; SMN2MITF
SCHEMBL22805390 0.83 TLR7 (0.43) TRPM8TLR8TLR7
SCHEMBL17123639 0.82 TLR7 (0.51) TRPM8TLR8TLR7
SCHEMBL13769046 0.81 MEN1 (0.44) PGK1IDO1RPS6KB1BTKTLR8
SCHEMBL1442231 0.79 TRPM8 (0.54) TRPM8PGK1SMN1; SMN2MITFLMNA
SCHEMBL20652469 0.79 STK17A (0.36) PGK1IDO1RPS6KB1CCR4STK17A
SCHEMBL13195718 0.77 STK17A (0.49) PGK1SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL13195752 0.75 TLR7 (0.49) TRPM8SMN1; SMN2MITFLMNAMAPT
SCHEMBL1937502 0.74 TLR8 (0.41) PGK1L3MBTL1ALDH1A1STK17ATLR8
SCHEMBL1442559 0.73 PGK1 (0.51) PGK1SMN1; SMN2KDM4EALDH1A1STK17A

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-109790154-A Pyrimidine prodrugs for the treatment of viral infections and additional diseases 爱尔兰詹森科学公司 2019-05-21 CN disclosed