SCHEMBL8505255

SCHEMBL8505255

CCCCCCCCOc1ccc2cc(-c3ccc(O)c(F)n3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.44
MCL1 Q07820 1/20 0.44
PTPN11 Q06124 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 2/20 0.42
THRA P10827 1/20 0.42
RARB P10826 3/20 0.41
LTA4H P09960 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39

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
SCHEMBL6861378 0.90 NR5A1 (0.53) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL8506187 0.89 NR5A1 (0.51) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL8506788 0.86 KDM4E (0.43) NR5A1PTPN11KDM4EALDH1A1HPGD
SCHEMBL8504621 0.80 TSHR (0.46) PTPN11KDM4EALDH1A1HPGDHTT
SCHEMBL9698503 0.79 MCL1 (0.50) NR5A1MCL1PTPN11CNR2THRA
SCHEMBL9181458 0.77 KDM4E (0.52) NR5A1MCL1PTPN11KDM4EALDH1A1
SCHEMBL9140257 0.76 KDM4E (0.53) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL9138896 0.76 KDM4E (0.53) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL8506313 0.76 KDM4E (0.53) NR5A1PTPN11KDM4EALDH1A1HPGD
SCHEMBL6863382 0.76 KDM4E (0.53) NR5A1KDM4EALDH1A1HPGDHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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