SCHEMBL8615439

SCHEMBL8615439

Fc1c(OCc2ccccc2)ccc(-c2ccc(Cl)cn2)c1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.50
ALOX5AP P20292 4/20 0.50
PLAU P00749 1/20 0.41
PTGER1 P34995 6/20 0.41
KDM1A O60341 2/20 0.40
LRRK2 Q5S007 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
SLC6A4 P31645 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL8615031 0.84 FEN1 (0.44) FEN1ALOX5APPTGER1KDM1ALRRK2
SCHEMBL8616563 0.84 FEN1 (0.56) FEN1ALOX5APPLAUPTGER1KDM1A
SCHEMBL8616567 0.84 ALOX5AP (0.43) FEN1ALOX5APPLAUPTGER1KDM1A
SCHEMBL8615418 0.79 FEN1 (0.50) FEN1ALOX5APKDM1AMRGPRX4
SCHEMBL8614892 0.78 FEN1 (0.43) FEN1ALOX5APPLAUPTGER1KDM1A
SCHEMBL8613864 0.78 MEN1 (0.46) FEN1ALOX5APKMT2AMEN1
SCHEMBL8616633 0.78 MRGPRX4 (0.48) FEN1ALOX5APPLAUPTGER1SLC6A4
SCHEMBL23263860 0.77 PTGER1 (0.44) PLAUPTGER1LRRK2KMT2AMEN1
SCHEMBL8612501 0.76 FEN1 (0.42) FEN1ALOX5APPLAUPTGER1KDM1A
SCHEMBL8612215 0.76 PTGER1 (0.42) FEN1ALOX5APPTGER1KDM1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed