SCHEMBL2369970

SCHEMBL2369970

O=[N+]([O-])c1ccc2c(c1)SCN2c1cccc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ LMNA P02545 6/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SNCA P37840 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ ACHE P22303 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
SCHEMBL30123443 0.69 SNCA (0.49) GAAMAPTKMT2ALMNATSHR
SCHEMBL29219009 0.69 SNCA (0.43) GAAMAPTKMT2AMEN1LMNA
SCHEMBL18380100 0.62 KEAP1 (0.67) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11221556 0.62 IDO1 (0.50) GAAMAPTKMT2AMEN1LMNA
SCHEMBL5949996 0.61 TDP1 (0.40) GAAMAPTKMT2AMEN1LMNA
SCHEMBL22206166 0.61 NPC1 (0.55) MAPTKMT2AMEN1LMNATSHR
SCHEMBL29838394 0.61 NPC1 (0.55) MAPTKMT2AMEN1LMNATSHR
SCHEMBL3042154 0.61 LMNA (0.57) GAALMNAALDH1A1SNCATDP1
Dinitrophenylene SCHEMBL7647705 0.60 TSHR (0.90) GAAKMT2ALMNATSHRALDH1A1
SCHEMBL10913298 0.60 HSD17B10 (0.56) GAAMAPTKMT2AMEN1LMNA

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-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 — — WO disclosed
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