SCHEMBL26545931

SCHEMBL26545931

COc1ccc(CNc2ccc(SNc3nccs3)cc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 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
SCHEMBL26545860 0.81 HIF1A (0.47) ALDH1A1KDM4EL3MBTL1HPGDSMN1; SMN2
SCHEMBL16646173 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1HPGDSMN1; SMN2
SCHEMBL18356855 0.80 ALOX12 (0.67) ALDH1A1L3MBTL1MAPK1LMNAGAA
SCHEMBL26545834 0.80 GAA (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL26546033 0.80 ALOX12 (0.67) ALDH1A1L3MBTL1SMN1; SMN2MAPK1LMNA
SCHEMBL26545845 0.75 MAPT (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL26546062 0.74 ALOX12 (0.54) ALDH1A1L3MBTL1HPGDSMN1; SMN2ALOX12
SCHEMBL26546076 0.74 PKM (0.49) ALDH1A1L3MBTL1SMN1; SMN2MAPK1LMNA
SCHEMBL3049191 0.72 SMN1; SMN2 (0.53) ALDH1A1KDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL2711213 0.71 MAPT (0.68) ALDH1A1KDM4EL3MBTL1HPGDSMN1; SMN2

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
EP-3054936-B1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2023-10-18 EP disclosed