SCHEMBL8984181

SCHEMBL8984181

CCCCCCCCCc1ccc(-c2cnc(-c3ccc(OCCCCCCC)c(F)c3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 3/20 0.48
STAT3 P40763 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RARB P10826 3/20 0.46
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44

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
SCHEMBL8984187 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984198 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984195 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984166 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984212 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984254 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984227 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984188 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984176 0.98 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8984182 0.98 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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 4 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
US-4997942-A 2,4-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK AND CHEMICAL, INC. (JP) 1991-03-05 US disclosed
EP-0339252-A2 2,5-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-11-02 EP disclosed