SCHEMBL46214

SCHEMBL46214

O=C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)SC(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.52
KDM4E B2RXH2 4/20 0.52
POLB P06746 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 1/20 0.48
SIRT5 Q9NXA8 4/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 2/20 0.43
HPGD P15428 1/20 0.43
KLK7 P49862 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
SCHEMBL13766486 0.80 MAPT (0.44) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL46709 0.77 XPA (0.51) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL21337609 0.76 TDP1 (0.47) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL28373067 0.71 KEAP1 (0.79) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL28373071 0.71 KEAP1 (0.79) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL2557746 0.70 KDM4E (1.00) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL46230 0.70 MAPT (0.50) KDM4EPOLBMEN1KMT2ANPC1
SCHEMBL21292800 0.70 PHGDH (0.75) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL21292802 0.70 PHGDH (0.75) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL28376711 0.67 SIRT5 (0.85) TDP1KDM4EPOLBMEN1KMT2A

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-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed