SCHEMBL5405152

SCHEMBL5405152

O=C(NCc1ccc([N+](=O)[O-])cc1)c1sc(Nc2ccc(Br)cc2)nc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADORA2B P29275 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
DHODH Q02127 5/20 0.45
PLTP P55058 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 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
SCHEMBL5425246 0.86 MAPT (0.47) MEN1KMT2AALDH1A1NPSR1KDM4E
SCHEMBL5402842 0.85 DHODH (0.62) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4924746 0.85 MAPT (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5364912 0.82 KMT2A (0.67) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5397042 0.79 KMT2A (0.58) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5409958 0.79 DHODH (0.51) MEN1KMT2AALDH1A1LMNAALOX12
SCHEMBL5369173 0.78 KMT2A (0.59) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4929895 0.76 SCD (0.64) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5366172 0.74 PTGDR2 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL27896455 0.73 MEN1 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2ADORA2B

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
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
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 disclosed