SCHEMBL5398487

SCHEMBL5398487

O=C(NCc1ccc(OC(F)F)cc1)c1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
DHODH Q02127 7/20 0.48
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK14 Q16539 2/20 0.44
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP36 Q9P275 1/20 0.43

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
SCHEMBL5418954 0.89 LMNA (0.48) DHODHMAPTSMN1; SMN2HTTMEN1
SCHEMBL5366172 0.84 PTGDR2 (0.53) DHODHMAPTSMN1; SMN2HTTMEN1
SCHEMBL5402536 0.78 LMNA (0.55) DHODHMAPTSMN1; SMN2HTTMEN1
SCHEMBL5364912 0.78 KMT2A (0.67) DHODHMAPTSMN1; SMN2HTTMEN1
SCHEMBL5330484 0.76 LMNA (0.56) DHODHMAPTSMN1; SMN2HTTMEN1
SCHEMBL5415273 0.74 PPARA (0.49) PPARAMAPTSMN1; SMN2HTTMEN1
SCHEMBL5403867 0.74 LMNA (0.39) DHODHMAPTSMN1; SMN2HTTMEN1
SCHEMBL5402842 0.73 DHODH (0.62) DHODHMAPTSMN1; SMN2MEN1LMNA
SCHEMBL5397042 0.73 KMT2A (0.58) DHODHMAPTSMN1; SMN2MEN1LMNA
SCHEMBL5414629 0.73 NPC1 (0.43) PPARAMAPTSMN1; SMN2HTTLMNA

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
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed