SCHEMBL8089217

SCHEMBL8089217

CC(C)CC(C)Cc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 1/20 0.38
ADRB2 P07550 4/20 0.37
PPID Q08752 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL22591638 0.86 GFER (0.50) TDP1GFERALDH1A1CYP3A4TSHR
SCHEMBL18524330 0.83 TDP1 (0.39) TDP1GFERALDH1A1CYP3A4TSHR
SCHEMBL19934200 0.83 TDP1 (0.42) TDP1GFERALDH1A1CYP3A4TSHR
SCHEMBL15159013 0.83 SLC6A4 (0.45) TDP1GFERALDH1A1CYP3A4TSHR
SCHEMBL9455527 0.83 IDO1 (0.45) TSHRSLC6A2SLC6A3
SCHEMBL2406779 0.81 TSHR (0.50) TDP1GFERALDH1A1CYP3A4TSHR
SCHEMBL9141621 0.80 GFER (0.44) TDP1GFERALDH1A1CYP3A4TSHR
SCHEMBL8094863 0.80 CYP3A4 (0.64) TDP1GFERALDH1A1CYP3A4TSHR
SCHEMBL17550075 0.80 GFER (0.44) TDP1GFERALDH1A1CYP3A4TSHR
SCHEMBL9141614 0.80 GFER (0.44) TDP1GFERALDH1A1CYP3A4TSHR

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
WO-2009015203-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009015237-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed