SCHEMBL8984159

SCHEMBL8984159

CCCCCCCc1ccc(-c2cnc(-c3ccc(OCCCC(C)CC)c(F)c3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 4/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
RARB P10826 3/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 2/20 0.38

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
SCHEMBL8984164 0.90 RAB9A (0.43) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984212 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984182 0.89 RAB9A (0.50) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984254 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984176 0.89 RAB9A (0.50) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984227 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984188 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984181 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984187 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8984198 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MAPTNPC1STAT3

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-0339252-B1 2,5-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK & CHEMICALS (JP) 1996-06-12 EP disclosed
US-5128472-A Electrooptical display materials, ferroelectric display DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-07-07 US disclosed