SCHEMBL8204698

SCHEMBL8204698

CCCCCC[CH]c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
NAAA Q02083 1/20 0.41
FAAH O00519 4/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8200117 1.00 MAPT (0.49) MAPTNAAAFAAHCYP3A4CYP2D6
SCHEMBL27772342 1.00 MAPT (0.49) MAPTNAAAFAAHCYP3A4CYP2D6
SCHEMBL27751551 1.00 MAPT (0.49) MAPTNAAAFAAHCYP3A4CYP2D6
SCHEMBL27772351 1.00 MAPT (0.49) MAPTNAAAFAAHCYP3A4CYP2D6
SCHEMBL8200101 1.00 MAPT (0.49) MAPTNAAAFAAHCYP3A4CYP2D6
SCHEMBL8200154 1.00 MAPT (0.49) MAPTNAAAFAAHCYP3A4CYP2D6
SCHEMBL7296109 0.98 MAPT (0.46) MAPTNAAAFAAHCYP3A4CYP2D6
SCHEMBL8200303 0.92 MAPT (0.44) MAPTNAAAFAAHCYP3A4CYP2D6
SCHEMBL1447729 0.83 MAPT (0.38) MAPTCYP3A4CYP2D6NFKB1NPC1
SCHEMBL6867759 0.81 TNNC1 (0.48) MAPTNAAAFAAHCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101467276-A Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof MAX PLANCK GESELLSCHAFT (DE) 2009-06-24 CN disclosed
US-6043227-A C11 carbamates of macrolide antibacterials PFIZER INC. (US) 2000-03-28 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed