SCHEMBL7525065

SCHEMBL7525065

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
PDE2A O00408 4/20 0.44
HTR1B P28222 6/20 0.39
NR5A1 Q13285 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 5/20 0.38
HTR1D P28221 5/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2A P28223 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDGFRB P09619 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL7517920 0.95 MAPT (0.50) MAPTPDE2AHTR1BNR5A1TSHR
SCHEMBL7519044 0.85 NR5A1 (0.51) MAPTHTR1BNR5A1MEN1KMT2A
SCHEMBL7528065 0.84 MAPK1 (0.41) MAPTHTR1BHTR1AHTR1DTP53
SCHEMBL7522690 0.83 HTR1B (0.38) MAPTPDE2AHTR1BNR5A1TSHR
SCHEMBL7523369 0.80 EIF4A1 (0.41) HTR1BHTR1AHTR1DTP53KDM4E
SCHEMBL7520990 0.78 S1PR1 (0.38) MAPTPDE2AHTR1BPDGFRB
SCHEMBL12252361 0.78 MAPT (0.46) MAPTTP53PDGFRBNPSR1
SCHEMBL7562994 0.78 MAPT (0.47) MAPTPDE2AHTR1BNR5A1TSHR
SCHEMBL13872672 0.78 MAPT (0.55) MAPTPDE2ANR5A1TSHRTP53
SCHEMBL7515612 0.76 CYP3A4 (0.41) MAPTNR5A1TSHRMAPK1CYP3A4

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