SCHEMBL9433738

SCHEMBL9433738

COC(=O)c1sc2cccc(Cl)c2c1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
MCL1 Q07820 2/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
OGG1 O15527 1/20 0.50
LMNA P02545 3/20 0.47
MAPT P10636 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NR4A2 P43354 1/20 0.43
POLB P06746 1/20 0.43
MAPK14 Q16539 1/20 0.40

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
SCHEMBL15619321 0.84 MAPK1 (0.56) MAPK1MCL1ALDH1A1KDM4EL3MBTL1
SCHEMBL4343748 0.82 ALDH1A1 (0.73) MAPK1MCL1ALDH1A1KDM4EL3MBTL1
SCHEMBL9434117 0.80 ALDH1A1 (0.49) MAPK1MCL1ALDH1A1KDM4EL3MBTL1
SCHEMBL9434019 0.77 ALDH1A1 (0.46) MAPK1MCL1ALDH1A1KDM4EL3MBTL1
SCHEMBL31370875 0.77 PFKFB3 (0.46) MAPK1MCL1ALDH1A1KDM4ELMNA
SCHEMBL4188335 0.76 ALDH1A1 (0.46) MAPK1MCL1ALDH1A1KDM4EL3MBTL1
SCHEMBL1805430 0.75 LMNA (0.69) MAPK1MCL1ALDH1A1KDM4EL3MBTL1
SCHEMBL3816392 0.75 LMNA (0.48) MAPK1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL4178799 0.73 NPSR1 (0.47) ALDH1A1KDM4EKMT2A
SCHEMBL30799600 0.71 KDM4E (0.46) MAPK1ALDH1A1KDM4ELMNAMAPT

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
US-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed