SCHEMBL8552964

SCHEMBL8552964

CCCCCCCCc1ncc(-c2ccc(Br)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 5/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
RARB P10826 5/20 0.39

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
SCHEMBL10602451 0.98 RAB9A (0.50) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL10743226 0.83 MAPT (0.57) RAB9ASMN1; SMN2NPC1MAPTHSD17B10
SCHEMBL8875432 0.83 MAPT (0.57) RAB9ASMN1; SMN2NPC1MAPTHSD17B10
SCHEMBL15894460 0.82 RAB9A (0.41) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8453984 0.82 RAB9A (0.41) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL17967576 0.82 RAB9A (0.41) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11249584 0.81 RAB9A (0.67) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8918889 0.80 MAPT (0.39) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL2358419 0.80 RAB9A (0.39) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11757976 0.80 HSD17B10 (0.65) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT

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-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed