SCHEMBL3879401

SCHEMBL3879401

C=CC(=O)NOc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TGM2 P21980 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
MAOB P27338 1/20 0.44
AOC3 Q16853 1/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
PPARG P37231 4/20 0.43
PPARA Q07869 1/20 0.43
GAA P10253 1/20 0.43
CES2 O00748 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41

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
SCHEMBL22732030 0.78 TGM2 (0.55) TGM2ALDH1A1MAPTLMNAPKM
SCHEMBL10193855 0.76 TGM2 (0.54) TGM2ALDH1A1HTTGAA
SCHEMBL23591753 0.75 RXFP1 (0.51) KDM4ETGM2MAPTLMNAGAA
SCHEMBL24168417 0.74 TLR8 (0.50) KDM4ETGM2KDRTEK
SCHEMBL30334853 0.74 TLR8 (0.50) KDM4ETGM2KDRTEK
SCHEMBL5037103 0.74 ALDH1A1 (0.68) TGM2ALDH1A1MAPTLMNAPKM
SCHEMBL16613920 0.73 KDM4E (0.62) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL24168630 0.73 TGM2 (0.49) KDM4ETGM2ALDH1A1MAPTLMNA
SCHEMBL24168411 0.73 TEAD1 (0.74) HTT
SCHEMBL24168443 0.73 TGM2 (0.43) KDM4ETGM2ALDH1A1MAPTLMNA

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-2010507-A2 NOVEL ISOOXAZOLE DERIVATIVES AND THEIR USES ScheBo Biotech Aktiengesellschaft (DE) 2009-01-07 EP disclosed
WO-2007110068-A2 NOVEL ISOOXAZOLE DERIVATIVES AND THEIR USES SCHEBO BIOTECH AG (DE) 2007-10-04 WO disclosed