SCHEMBL5402842

SCHEMBL5402842

COc1ccc(CNC(=O)c2sc(Nc3ccc(Br)cc3)nc2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.62
MAPT P10636 7/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTGDR2 Q9Y5Y4 2/20 0.58
GAA P10253 4/20 0.56
LMNA P02545 3/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
ADORA1 P30542 3/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 1/20 0.49

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
SCHEMBL5420599 0.86 MEN1 (0.52) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL4923913 0.85 MAPT (0.59) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL5405152 0.85 MEN1 (0.48) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL5364912 0.83 KMT2A (0.67) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL5366172 0.81 PTGDR2 (0.53) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL5397042 0.81 KMT2A (0.58) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL5409958 0.80 DHODH (0.51) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL4393456 0.80 DHODH (0.75) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL5369173 0.79 KMT2A (0.59) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL4929895 0.79 SCD (0.64) DHODHMAPTMEN1KMT2AALDH1A1

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