SCHEMBL27768609

SCHEMBL27768609

CCCCCc1cnc(C)nc1N

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TLR8 Q9NR97 4/20 0.47
TKT P29401 4/20 0.43
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 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
SCHEMBL26627835 0.98 LMNA (0.53) LMNATLR8TKTKDM4E
SCHEMBL1554275 0.84 PKM (0.55)
SCHEMBL29352921 0.84 PKM (0.55)
SCHEMBL30872658 0.82 PKM (0.54)
SCHEMBL9499492 0.82 PKM (0.54)
SCHEMBL16701417 0.82 PKM (0.54)
SCHEMBL16701413 0.82 PKM (0.54)
SCHEMBL30042167 0.81 TLR8 (0.46) TLR8
Benzene SCHEMBL27894272 0.81 PKM (0.52) TLR8
SCHEMBL28095152 0.81 TLR8 (0.46) TLR8

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
CN-101627017-B Process for the manufacture of vitamin B1 precursor DSM IP ASSETS BV 2013-02-27 CN disclosed
CN-101627017-A Process for the manufacture of vitamin B1 precursor DSM IP ASSETS BV 2010-01-13 CN disclosed