SCHEMBL13255255

SCHEMBL13255255

Cc1cc(C(F)(F)C(F)(F)F)ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CES2 O00748 1/20 0.31
ESR1 P03372 1/20 0.31
AR P10275 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL451620 0.81 ALDH1A1 (0.39) PDE2AHSD17B10MEN1TSHRKMT2A
SCHEMBL9198448 0.78 ALDH1A1 (0.48) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL25377587 0.78 PDE2A (0.36) PDE2AESR1AR
SCHEMBL11995381 0.78 PGK1 (0.38) PDE2APGK1PGK2MEN1KMT2A
SCHEMBL18242999 0.77 MEN1 (0.33) PDE2AHSD17B10MEN1ALOX15TSHR
SCHEMBL10241976 0.76 ESR1 (0.59) HSD17B10ALOX15ESR1AR
SCHEMBL3377615 0.76 CYP3A4 (0.48) ALOX15TSHRMAPK1ESR1AR
SCHEMBL12708541 0.74 ALDH1A1 (0.46) HSD17B10MEN1TSHRMAPK1KMT2A
SCHEMBL18242635 0.72 AR (0.33) HSD17B10MEN1ALOX15TSHRMAPK1
SCHEMBL26200269 0.72 PDE2A (0.37) PDE2A

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-1685095-B1 METHOD FOR THE PRODUCTION OF ORGANIC SALTS CONTAINING BIS(PERFLUOROALKYL)PHOSPHINATE ANIONS MERCK PATENT GMBH (DE) 2010-08-11 EP disclosed
EP-1773848-B1 SALTS CONTAINING ALKOXYTRIS (FLUOROALKYL) BORATE ANIONS MERCK PATENT GMBH (DE) 2009-12-30 EP disclosed
US-7439395-B2 Process for the preparation of guanidinium salts MERCK PATENT GMBH (DE) 2008-10-21 US disclosed