SCHEMBL20274202

SCHEMBL20274202

CC(c1nc2cc(C(F)(F)F)ccc2s1)N1CCN(C(=O)CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.50
DYRK1A Q13627 1/20 0.44
ALOX5 P09917 1/20 0.41
HRH3 Q9Y5N1 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CACNA2D1 P54289 2/20 0.37

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
SCHEMBL20274141 0.80 RAB9A (0.52) DYRK1ALMNAMAPT
SCHEMBL20274221 0.80 DYRK1A (0.46) AKR1B1DYRK1AALOX5PKMMEN1
SCHEMBL20274125 0.78 AKR1B1 (0.53) AKR1B1DYRK1AL3MBTL1TRPV1
SCHEMBL15727716 0.75 AR (0.36) AKR1B1DYRK1APKMMEN1NSD2
SCHEMBL20274215 0.74 PIM1 (0.43) HRH3L3MBTL1POLBCACNA2D1CACNA1B
SCHEMBL9677093 0.72 TRPV1 (0.54) AKR1B1DYRK1AALOX5MEN1NSD2
SCHEMBL8225275 0.72 DYRK1A (0.52) AKR1B1DYRK1AALOX5MEN1NSD2
SCHEMBL9443094 0.72 DYRK1A (0.54) AKR1B1DYRK1AALOX5MEN1NSD2
SCHEMBL20964520 0.71 AKR1B1 (0.52) AKR1B1DYRK1AL3MBTL1TRPV1
SCHEMBL10516147 0.71 DYRK1A (0.51) AKR1B1DYRK1AALOX5MEN1NSD2

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-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed