SCHEMBL8350768

SCHEMBL8350768

CNc1cccc(OC(F)(F)CF)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
EPHX2 P34913 1/20 0.35
SYK P43405 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1674894 0.82 NPC1 (0.49) APPLMNAPOLBNPC1RAB9A
SCHEMBL11687255 0.81 EPHX2 (0.46) LMNAPOLBNPC1RAB9AMAPT
SCHEMBL13169751 0.81 APP (0.44) APPLMNAPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL27931881 0.81 NPC1 (0.48) APPLMNAPOLBNPC1RAB9A
SCHEMBL25841055 0.79 APP (0.43) APPLMNAPOLBNPC1RAB9A
SCHEMBL527094 0.78 ALDH1A1 (0.46) LMNAPOLBNPC1RAB9AMAPT
SCHEMBL13169816 0.78 LMNA (0.51) APPLMNAPOLBNPC1RAB9A
SCHEMBL11683088 0.77 TP53 (0.57) LMNAPOLBNPC1RAB9A
SCHEMBL9926540 0.77 APP (0.46) APPLMNAPOLBNPC1RAB9A
SCHEMBL6272101 0.75 CYP3A4 (0.48) APPPOLBMAPTMEN1MAPK1

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
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed