SCHEMBL8375652

SCHEMBL8375652

C1=CN(c2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
KCNA5 P22460 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
SCHEMBL3153767 0.94 MAPT (0.40) MBTD1L3MBTL3L3MBTL1MAPTNPSR1
Methane SCHEMBL27848146 0.92 MAPT (0.39) MBTD1L3MBTL3L3MBTL1MAPTNPSR1
SCHEMBL11611267 0.85 L3MBTL1 (0.36) MBTD1L3MBTL3L3MBTL1MAPTNPSR1
SCHEMBL5352313 0.85 MAPT (0.42) MBTD1L3MBTL3L3MBTL1MAPTNPSR1
SCHEMBL1968507 0.78 L3MBTL1 (0.38) MBTD1L3MBTL3L3MBTL1MAPTNPSR1
SCHEMBL29507810 0.75 CHKA (0.48) L3MBTL1MAPTNPSR1ALDH1A1TDP1
SCHEMBL28217503 0.73 ALDH1A1 (0.39) MAPTNPSR1MAPK1HTTNPC1
SCHEMBL28380433 0.72 LMNA (0.31) L3MBTL1MAPTNPSR1TDP1LMNA
SCHEMBL4164157 0.71 SIGMAR1 (0.38) MBTD1L3MBTL3L3MBTL1MAPTNPSR1
SCHEMBL12474038 0.71 CYP2D6 (0.34) HTTCYP3A4CYP2D6CYP2C9CYP2C19

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
EP-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
EP-0901787-A1 Stabilized pharmaceutical composition Takeda Chemical Industries, Ltd. (JP) 1999-03-17 EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO disclosed