SCHEMBL8984168

SCHEMBL8984168

CCCCCCCCOc1ccc(-c2ncc(-c3ccc(CCCCCCCC)cc3)cn2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 10/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ S1PR1 P21453 2/20 0.45
▸ S1PR3 Q99500 2/20 0.45
▸ RARA P10276 1/20 0.44
▸ RARG P13631 1/20 0.44
▸ PTPN11 Q06124 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL18590717 1.00 RARB (0.52) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL16187780 1.00 RARB (0.52) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL16187781 1.00 RARB (0.52) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL14802206 0.93 RARB (0.46) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL14802209 0.93 RARB (0.47) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL14802205 0.91 RARB (0.44) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL14802203 0.91 RARB (0.44) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL14802204 0.90 RARB (0.43) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL8984152 0.90 RARB (0.43) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL16187784 0.89 RARB (0.45) RARBSMN1; SMN2RAB9AMEN1USP2

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
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