SCHEMBL8084532

SCHEMBL8084532

CCCN(COc1ccccc1)c1nc(Cl)nc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
GBA1 P04062 2/20 0.36
TLR7 Q9NYK1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR1 P34998 2/20 0.33

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
SCHEMBL8070475 0.86 MAPT (0.39) LMNAMAPTTLR7RAB9A
SCHEMBL6981801 0.77 LMNA (0.35) ALDH1A1LMNAMAPTTLR7TDP1
SCHEMBL6982621 0.70 MAPT (0.38) LMNAMAPT
SCHEMBL21905159 0.68 KCNH2 (0.45) ALDH1A1LMNAMAPTRAB9A
SCHEMBL8506338 0.64 NR1H2 (0.37) ALDH1A1MAPTCRHR1
SCHEMBL31530718 0.64 MAPT (0.55) ALDH1A1LMNAMAPTTDP1CRHR1
SCHEMBL11735724 0.64 MAPT (0.50) ALDH1A1LMNAMAPTTDP1CRHR1
SCHEMBL30742823 0.61 NPC1 (0.51) ALDH1A1LMNAMAPTRAB9A
SCHEMBL27918079 0.60 LTA4H (0.38)
SCHEMBL11675033 0.58 LTA4H (0.50) ALDH1A1GBA1

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
EP-1034168-A1 SUBSTITUTED ARYLOXY ALKYL AMINO TRIAZINES Bayer Aktiengesellschaft (DE) 2000-09-13 EP disclosed
WO-1999021841-A1 SUBSTITUTED ARYLOXY ALKYL AMINO TRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1999-05-06 WO disclosed