SCHEMBL5403867

SCHEMBL5403867

O=C(NCc1ccc(OC(F)F)cc1)c1sc(NC2(F)C=CC=CC2)nc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.36
DHODH Q02127 2/20 0.35
ADORA1 P30542 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34

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
SCHEMBL5411421 0.89 DHODH (0.38) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL5414622 0.80 TP53 (0.38) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL5366172 0.78 PTGDR2 (0.53) LMNAMAPTALDH1A1KDM4EDHODH
SCHEMBL5418954 0.76 LMNA (0.48) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL5398487 0.74 PPARA (0.49) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL5415273 0.73 PPARA (0.49) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL5414629 0.72 NPC1 (0.43) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL5364912 0.68 KMT2A (0.67) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL5402842 0.67 DHODH (0.62) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL5397042 0.66 KMT2A (0.58) LMNAMAPTALDH1A1KDM4EDHODH

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