SCHEMBL8984176

SCHEMBL8984176

CCCCCCc1ccc(-c2cnc(-c3ccc(OCCCC)c(F)c3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 4/20 0.48
STAT3 P40763 1/20 0.48
ATM Q13315 1/20 0.48
RARB P10826 3/20 0.46
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46
S1PR1 P21453 3/20 0.45
ALDH1A1 P00352 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MEN1 O00255 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
SCHEMBL8984182 1.00 RAB9A (0.50) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984198 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984187 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984195 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984181 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984212 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984188 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984254 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984227 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8984166 0.98 RAB9A (0.48) RAB9AMAPTL3MBTL1CASP3SENP8

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