SCHEMBL13612601

SCHEMBL13612601

CCCCCCCCCCCCCCCCCCOc1ccc(Nc2nc(Nc3ccc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)nc(Nc3ccc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)n2)cc1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH3 Q9ULD8 2/20 0.43
SMPD1 P17405 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR8 Q9NR97 2/20 0.43
EHMT2 Q96KQ7 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
EGFR P00533 1/20 0.42
C5 P01031 1/20 0.42

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
SCHEMBL7045169 1.00 MAPT (0.44) MAPTHSD17B10KCNH3SMPD1MEN1
SCHEMBL7041792 1.00 MAPT (0.44) MAPTHSD17B10KCNH3SMPD1MEN1
SCHEMBL7046869 1.00 MAPT (0.44) MAPTHSD17B10KCNH3SMPD1MEN1
SCHEMBL13612602 0.93 MAPT (0.40) MAPTHSD17B10KCNH3SMPD1MEN1
SCHEMBL13933194 0.88 MAPT (0.39) MAPTHSD17B10KCNH3SMPD1MEN1
SCHEMBL13933193 0.85 EGFR (0.39) MAPTHSD17B10TLR8EHMT2EHMT1
SCHEMBL13752165 0.84 KCNH3 (0.39) MAPTHSD17B10KCNH3MEN1LMNA
SCHEMBL14589645 0.84 KCNH3 (0.39) MAPTHSD17B10KCNH3MEN1LMNA
SCHEMBL29555432 0.83 DGKA (0.44) MAPTHSD17B10SMPD1
SCHEMBL13752158 0.80 NR5A1 (0.54) KCNH3

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
US-7622432-B2 Lubricant composition and triazine-ring-containing compound FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed