SCHEMBL16646173

SCHEMBL16646173

COc1ccc(CNc2ccc([S+]([O-])Nc3nccs3)cc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 3/20 0.44
MAPK1 P28482 3/20 0.44
ALOX12 P18054 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42

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
SCHEMBL18356855 0.80 ALOX12 (0.67) ALDH1A1L3MBTL1GAAMAPK1ALOX12
SCHEMBL26545931 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1HPGDGAA
SCHEMBL3049191 0.71 SMN1; SMN2 (0.53) ALDH1A1KDM4EGAAMAPK1ALOX12
SCHEMBL16646174 0.71 ALOX12 (0.50) ALDH1A1L3MBTL1GAAMAPK1ALOX12
SCHEMBL16646117 0.71 ALOX12 (0.66) ALDH1A1L3MBTL1GAAMAPK1ALOX12
SCHEMBL2711213 0.69 MAPT (0.68) ALDH1A1KDM4EL3MBTL1HPGDGAA
SCHEMBL16646175 0.68 ALOX12 (0.52) ALDH1A1L3MBTL1HPGDGAAMAPK1
SCHEMBL13212143 0.67 RAB9A (0.65) ALDH1A1KDM4ELMNASMN1; SMN2PKM
SCHEMBL13873886 0.67 CYP19A1 (0.55) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL1998287 0.66 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-2015054662-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2015-04-16 WO disclosed