SCHEMBL7519044

SCHEMBL7519044

CCCCCCOc1ccc2c(c1)c(F)nc1cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
LTA4H P09960 2/20 0.46
ALDH2 P05091 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 4/20 0.42
GPBAR1 Q8TDU6 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HTR1B P28222 1/20 0.39
MTNR1A P48039 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
SCHEMBL7525065 0.85 MAPT (0.47) NR5A1MEN1MAPTKMT2AGPBAR1
SCHEMBL7528065 0.84 MAPK1 (0.41) MEN1ALDH1A1MAPTKMT2ACNR2
SCHEMBL7522690 0.83 HTR1B (0.38) NR5A1ALDH2MEN1MAPTKMT2A
SCHEMBL7517920 0.83 MAPT (0.50) NR5A1MAPTGPBAR1CYSLTR2CYSLTR1
SCHEMBL7524265 0.80 CYP3A4 (0.49) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL7520990 0.78 S1PR1 (0.38) ALDH2MAPTHTR1B
SCHEMBL7517995 0.78 CYP3A4 (0.49) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL7515612 0.76 CYP3A4 (0.41) NR5A1MEN1ALDH1A1MAPTRAB9A
SCHEMBL9697418 0.75 NR5A1 (0.71) NR5A1LTA4HALDH2MEN1NPC1
SCHEMBL9001511 0.75 NR5A1 (0.71) NR5A1LTA4HALDH2MEN1NPC1

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-0946513-B1 DERIVATIVES OF 6-FLUOROPHENANTHRIDINE FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2002-01-30 EP disclosed
US-6120703-A Derivatives of 6-fluorophenanthridine for liquid crystal mixtures AVENTIS RESEARCH & TECHNOLOGIES DEUTSCHLAND GMBH & CO. KG (DE) 2000-09-19 US disclosed
EP-0946513-A1 DERIVATIVES OF 6-FLUOROPHENANTHRIDINE FOR LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG (DE) 1999-10-06 EP disclosed
WO-1998027060-A1 DERIVATIVES OF 6-FLUOROPHENANTHRIDINE FOR LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed