SCHEMBL3801424

SCHEMBL3801424

CC(F)(NC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 4/20 0.37
OGG1 O15527 1/20 0.37
FPR2 P25090 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.36
HTT P42858 1/20 0.36
PDE2A O00408 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 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
SCHEMBL1933209 0.81 PDE2A (0.46) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL16243838 0.75 MEN1 (0.41) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2130948 0.75 CA1 (0.42) MEN1KMT2ANPC1RAB9ACA1
SCHEMBL16243709 0.74 HDAC3 (0.43) MEN1KMT2ANPC1RAB9ALMNA
Benzoquinone SCHEMBL28257947 0.74 PDE2A (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL25207178 0.73 MEN1 (0.42) MEN1KMT2ANPC1RAB9ACA1
SCHEMBL30885354 0.71 CA1 (0.42) CA1CA2CA5ACA9OGG1
SCHEMBL2130309 0.70 KMT2A (0.46) MEN1KMT2ANPC1RAB9ACA1
SCHEMBL22938368 0.70 PDE2A (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1845922 0.70 MEN1 (0.40) MEN1KMT2ANPC1RAB9ACA1

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-2209771-A1 CYCLOBUTYL CARBOXYLIC ACID DERIVATIVES Pfizer, Inc. (US) 2010-07-28 EP disclosed
WO-2009060278-A1 CYCLOBUTYL CARBOXYLIC ACID DERIVATIVES PFIZER INC. (US) 2009-05-14 WO disclosed
EP-1756042-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
WO-2005105732-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed