SCHEMBL6863866

SCHEMBL6863866

CCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)c(F)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2D6 P10635 8/20 0.46
CYP19A1 P11511 7/20 0.46
CYP2C9 P11712 6/20 0.46
CYP2C19 P33261 6/20 0.46
CYP1A2 P05177 5/20 0.46
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 2/20 0.44
NR5A1 Q13285 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 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
SCHEMBL7110595 1.00 KDM4E (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8506474 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9138896 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL6863382 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9140257 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8506313 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL14191038 0.83 MAPT (0.49) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL8504280 0.83 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL6861378 0.83 NR5A1 (0.53) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7645757 0.83 MAPT (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT

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
EP-0930301-B1 2-Fluoropyridine, process for producing it and its use in liquid crystal mixtures AVENTIS RES & TECH GMBH & CO (DE) 2004-07-28 EP disclosed
EP-0563146-B1 2-FLUOROPYRIDINE, PROCESS FOR PRODUCING IT AND ITS USE IN LIQUID CRYSTAL MIXTURES HOECHST AG (DE) 1999-10-06 EP disclosed
EP-0930301-A1 2-Fluoropyridine, process for producing it and its use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
US-5630962-A 2-Fluoropyridines, their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
EP-0563146-A1 2-FLUOROPYRIDINE, PROCESS FOR PRODUCING IT AND ITS USE IN LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-06 EP disclosed
WO-1992011241-A1 2-FLUOROPYRIDINE, PROCESS FOR PRODUCING IT AND ITS USE IN LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-09 WO disclosed