SCHEMBL8963172

SCHEMBL8963172

CCCCCc1cnc(C2CCC(/C=C/Cl)CC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.37
RARB P10826 1/20 0.35
SPHK2 Q9NRA0 8/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8963177 1.00 SPHK1 (0.37) SPHK1RARBSPHK2NPC1MAPT
SCHEMBL8962762 0.96 NFKB1 (0.33) SPHK1RARBNPC1MAPTRAB9A
SCHEMBL8962758 0.96 NFKB1 (0.33) SPHK1RARBNPC1MAPTRAB9A
SCHEMBL8963187 0.90 NPC1 (0.32) NPC1RAB9A
SCHEMBL8963185 0.90 NPC1 (0.32) NPC1RAB9A
SCHEMBL8962857 0.87 SPHK1 (0.40) SPHK1RARBSPHK2NPC1MAPT
SCHEMBL8962934 0.84 PDE8B (0.31)
SCHEMBL8962927 0.84 PDE8B (0.31)
SCHEMBL8963259 0.83 RARB (0.36) SPHK1RARBSPHK2NPC1MAPT
SCHEMBL8963141 0.83 RAB9A (0.41) SPHK1SPHK2NPC1MAPTSTAT3

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-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed