SCHEMBL46709

SCHEMBL46709

O=C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)SC(=O)NCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPA P23025 3/20 0.51
TDP1 Q9NUW8 4/20 0.48
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
ENPP2 Q13822 1/20 0.48
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
PHGDH O43175 2/20 0.46
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL46717 0.85 ALDH1A1 (0.58) XPATDP1POLBL3MBTL1MEN1
SCHEMBL46199 0.83 XPA (0.48) XPATDP1POLBL3MBTL1MEN1
SCHEMBL46214 0.77 TDP1 (0.52) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL46230 0.68 MAPT (0.50) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL2557746 0.66 KDM4E (1.00) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL6391164 0.65 TDP1 (0.83) XPATDP1POLBL3MBTL1MEN1
SCHEMBL6391161 0.65 TDP1 (0.83) XPATDP1POLBL3MBTL1MEN1
SCHEMBL10099566 0.65 NR1H4 (0.69) L3MBTL1KMT2ALMNA
SCHEMBL684546 0.65 ENPP2 (1.00) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL20339613 0.64 ENPP2 (0.66) XPATDP1POLBL3MBTL1MEN1

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