SCHEMBL8947859

SCHEMBL8947859

Nc1ccc(F)c(F)c1OCCOc1c(N)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.35
PARP3 Q9Y6F1 2/20 0.35
ALDH1A1 P00352 1/20 0.33
NCF1 P14598 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL11084896 0.88 PARP1 (0.35) PARP1PARP3
SCHEMBL6650609 0.85 KDM4E (0.35) ALDH1A1KDM4EMAPTCRHBPCRHR2
SCHEMBL6649379 0.83 L3MBTL1 (0.41) ALDH1A1KDM4EMAPTHTR2AHTR2C
SCHEMBL29025196 0.79 MAPT (0.40) ALDH1A1KDM4EMAPTCRHBPCRHR2
SCHEMBL10433956 0.79 HTR2C (0.43) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL24180091 0.77 FEN1 (0.41) HTR2AHTR2CHTR2BALOX5APFEN1
SCHEMBL3819931 0.76 LMNA (0.44) HTR2AHTR2B
SCHEMBL3819929 0.76 LMNA (0.44) HTR2AHTR2B
SCHEMBL29398924 0.76 ALOX5AP (0.37) ALDH1A1KDM4EMAPTCRHBPCRHR2
SCHEMBL1707536 0.76 ALOX5AP (0.37) ALDH1A1KDM4EMAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516911-A Fluorescent intracellular calcium indicators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-05-14 US disclosed