SCHEMBL20274229

SCHEMBL20274229

CNc1ccc(C)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SYK P43405 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
AR P10275 1/20 0.36
CRHR1 P34998 1/20 0.36
ALDH1A1 P00352 3/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
PKM P14618 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
SCHEMBL9281840 0.83 MEN1 (0.38) APPMEN1KMT2ATSHRALOX15
SCHEMBL11214926 0.82 SMN1; SMN2 (0.46) APPMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27717723 0.82 ALDH1A1 (0.52) APPMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27049050 0.81 SMN1; SMN2 (0.41) MEN1KMT2ATSHRALOX15MAPK1
SCHEMBL13127247 0.81 PDE3B (0.52) APPMEN1KMT2ATSHRALOX15
Hydrochloric Acid SCHEMBL1842062 0.80 ALDH1A1 (0.55) APPMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL16564658 0.80 PDE3B (0.44) APPMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9229437 0.79 APP (0.49) APPMEN1KMT2ATSHRALOX15
SCHEMBL26444101 0.79 MEN1 (0.58) APPMEN1KMT2ATSHRALOX15
SCHEMBL18509237 0.79 PDE3B (0.45) APPMEN1KMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed