SCHEMBL5409958

SCHEMBL5409958

O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1sc(Nc2ccc(Br)cc2)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.51
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
CHRNA7 P36544 1/20 0.44
ADORA2B P29275 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PPARG P37231 2/20 0.43
NCOA2 Q15596 2/20 0.43
NCOA1 Q15788 2/20 0.43
NCOA3 Q9Y6Q9 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 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
SCHEMBL4925387 0.86 DHODH (0.52) DHODHPTPN7DUSP3CHRNA7MEN1
SCHEMBL5402842 0.80 DHODH (0.62) DHODHMEN1KMT2AALDH1A1LMNA
SCHEMBL5405152 0.79 MEN1 (0.48) DHODHADORA2BMEN1KMT2AALDH1A1
SCHEMBL5397042 0.78 KMT2A (0.58) DHODHADORA2BMEN1KMT2AALDH1A1
SCHEMBL5364912 0.77 KMT2A (0.67) DHODHADORA2BMEN1KMT2AALDH1A1
SCHEMBL5330484 0.74 LMNA (0.56) DHODHADORA2BMEN1KMT2AALDH1A1
SCHEMBL5402536 0.74 LMNA (0.55) DHODHADORA2BMEN1KMT2AALDH1A1
SCHEMBL5366172 0.73 PTGDR2 (0.53) DHODHADORA2BMEN1KMT2AALDH1A1
SCHEMBL5369173 0.73 KMT2A (0.59) DHODHADORA2BMEN1KMT2AALDH1A1
SCHEMBL14214490 0.71 DHODH (0.56) DHODHMEN1KMT2AALDH1A1LMNA

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