SCHEMBL9508266

SCHEMBL9508266

O=C(CI)Nc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.37
CHAT P28329 1/20 0.36
SNCA P37840 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
TTR P02766 1/20 0.36
FABP4 P15090 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK14 Q16539 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
Iodoacetamide SCHEMBL3286706 0.84 SNCA (0.42) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL29483445 0.81 ALDH1A1 (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL483213 0.81 ALDH1A1 (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL8928013 0.81 MAPT (0.40) KMT2AMEN1MAPTALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL9244903 0.80 NR4A1 (0.52) KMT2AMEN1MAPTALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL9244904 0.80 NR4A1 (0.52) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL5051397 0.79 SNCA (0.53) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL3497623 0.77 CA12 (0.45) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL3765915 0.76 ANPEP (0.36) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL8928010 0.76 ANPEP (0.36) KMT2AMEN1MAPTALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557383-A1 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1993-09-01 EP disclosed
WO-1992008456-A2 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1992-05-29 WO disclosed