SCHEMBL22779587

SCHEMBL22779587

Cc1cc(NC(C)C=O)nc(-c2cc(F)c(OCc3ccccc3)cc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL16013633 0.75 SCN9A (0.51)
SCHEMBL16013368 0.75 FPR2 (0.37) PTGER1
SCHEMBL856019 0.66 ERN1 (0.55) L3MBTL1MAPTMEN1KMT2AMAPK1
SCHEMBL6593582 0.64 BRD4 (0.56) LMNAKDM4EL3MBTL1MAPTHTT
SCHEMBL3370688 0.62 LMNA (0.50) LMNAKDM4EL3MBTL1MAPTHTT
SCHEMBL4481351 0.62 ERN1 (0.51) LMNAL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL31113771 0.62 ERN1 (0.54) L3MBTL1MAPTMEN1KMT2AMAPK1
SCHEMBL31167060 0.62 KDM1A (0.44) L3MBTL1MAPTMAPK1TDP1MRGPRX4
SCHEMBL24446054 0.62 MAPT (0.53) L3MBTL1MAPTHTTMAPK1TDP1
SCHEMBL5033252 0.61 MAPT (0.50) FFAR1LMNAL3MBTL1MAPTHTT

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
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed