SCHEMBL8984152

SCHEMBL8984152

CCCCCCCCc1ccc(-c2cnc(-c3ccc(OCCCC(C)CC)cc3F)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ RARA P10276 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37

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
SCHEMBL14802204 0.94 RARB (0.43) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL14802203 0.91 RARB (0.44) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL14802205 0.91 RARB (0.44) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL16187781 0.90 RARB (0.52) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL8984168 0.90 RARB (0.52) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL18590717 0.90 RARB (0.52) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL16187780 0.90 RARB (0.52) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL14802206 0.89 RARB (0.46) RARBSMN1; SMN2RAB9AMEN1USP2
SCHEMBL10336144 0.86 RARB (0.50) RARBSMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL9229613 0.85 RARB (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2204484-A — — None — — JP disclosed
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
JP-H02204484-A 2,3-DISUBSTITUTED PYRIMIDINE DERIVATIVE DAINIPPON INK & CHEM INC 1990-08-14 — — JP 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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