SCHEMBL26545970

SCHEMBL26545970

Clc1cccc(CNc2ccc(SNc3nccs3)cc2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 6/20 0.51
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.38
ILK Q13418 1/20 0.37
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL26545984 0.89 ALOX12 (0.65) ALOX12ALDH1A1GAALMNAMAPK1
SCHEMBL26545845 0.81 MAPT (0.47) ALOX12ALDH1A1GAALMNAMAPK1
SCHEMBL26545899 0.81 ILK (0.44) ALOX12ALDH1A1GAALMNAMAPK1
SCHEMBL26545988 0.80 ALOX12 (0.65) ALOX12ALDH1A1GAALMNAMAPK1
SCHEMBL16646175 0.78 ALOX12 (0.52) ALOX12ALDH1A1GAALMNAMAPK1
SCHEMBL18356879 0.78 ALOX12 (0.81) ALOX12ALDH1A1GAALMNAMAPK1
SCHEMBL26546062 0.78 ALOX12 (0.54) ALOX12ALDH1A1KMT2AMEN1HPGD
SCHEMBL26545834 0.78 GAA (0.71) ALOX12ALDH1A1GAALMNAMAPK1
SCHEMBL26546076 0.73 PKM (0.49) ALOX12ALDH1A1GAALMNAMAPK1
SCHEMBL26545860 0.73 HIF1A (0.47) ALOX12ALDH1A1GAALMNAMAPK1

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