SCHEMBL5363055

SCHEMBL5363055

O=C(NCc1ccccc1)c1sc(Nc2cccc3cccnc23)nc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.51
MAPT P10636 4/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KDR P35968 1/20 0.45
KDM4E B2RXH2 2/20 0.43
PTGS2 P35354 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCD O00767 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL5359196 0.87 EGLN1 (0.50) EGLN1MAPTHDAC6HDAC3HDAC1
SCHEMBL5351199 0.84 EGLN1 (0.47) EGLN1MAPTHDAC6HDAC3HDAC1
SCHEMBL5360243 0.84 HDAC6 (0.49) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL5354225 0.79 MAPT (0.57) MAPTKDM4ENPSR1SCDALDH1A1
SCHEMBL5365211 0.78 CDC7 (0.55) MAPTPTGS2NPSR1SCDALDH1A1
SCHEMBL3316055 0.75 PTGS2 (0.59) HDAC6HDAC1HDAC2HDAC8PTGS2
SCHEMBL5412989 0.73 MAPT (0.51) MAPTHDAC6HDAC1HDAC11KDM4E
SCHEMBL6983554 0.72 EGLN1 (0.76) EGLN1MAPTNSD2HPGDMEN1
SCHEMBL4914715 0.72 ALDH1A1 (0.48) MAPTHDAC6KDRKDM4ENPSR1
SCHEMBL5392676 0.71 MAPT (0.48) MAPTHDAC6HDAC1HDAC11KDM4E

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