SCHEMBL7522690

SCHEMBL7522690

CCCCCCOc1ccc2c(c1)c(F)nc1cc(OCCCC[Si](C)(C)CCCC)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.38
MTNR1A P48039 2/20 0.38
MAPT P10636 3/20 0.37
HTR1A P08908 6/20 0.37
HTR1D P28221 6/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NR5A1 Q13285 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2A P28223 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7517920 0.83 MAPT (0.50) HTR1BMAPTNR5A1TP53TSHR
SCHEMBL7525065 0.83 MAPT (0.47) HTR1BMAPTHTR1AHTR1DMAPK1
SCHEMBL7519044 0.83 NR5A1 (0.51) HTR1BMTNR1AMAPTNR5A1MEN1
SCHEMBL7528065 0.82 MAPK1 (0.41) HTR1BMTNR1AMAPTHTR1AHTR1D
SCHEMBL8767604 0.80 NR5A1 (0.34) HTR1BMAPTHTR1AHTR1DMAPK1
SCHEMBL7520990 0.79 S1PR1 (0.38) HTR1BMAPTPDE2AALDH2
SCHEMBL8720511 0.76 MAPT (0.43) MTNR1AMAPTNR5A1KDM4ETP53
SCHEMBL7515612 0.74 CYP3A4 (0.41) MAPTMAPK1NR5A1CYP3A4CYP2D6
SCHEMBL12485019 0.73 NR5A1 (0.58) HTR1BMAPTHTR1AHTR1DMAPK1
SCHEMBL12483695 0.73 NR5A1 (0.58) HTR1BMAPTHTR1AHTR1DMAPK1

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