SCHEMBL8963136

SCHEMBL8963136

CCCCCc1ccc(C2CCC(/C=C/Cl)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
SPHK1 Q9NYA1 8/20 0.40
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL8963141 1.00 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8963100 0.96 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8963105 0.96 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8962748 0.91 SMN1; SMN2 (0.35) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8962756 0.91 SMN1; SMN2 (0.35) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9450827 0.88 CASP3 (0.47) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8963379 0.85 PDE10A (0.37) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8963382 0.85 PDE10A (0.37) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL11502287 0.83 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8963172 0.83 SPHK1 (0.37) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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