SCHEMBL7775519

SCHEMBL7775519

CNC(=S)OCC(COC(N)=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ ALDH1A1 P00352 2/20 0.46
▸ ATM Q13315 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ GABBR2 O75899 1/20 0.37
▸ GABBR1 Q9UBS5 1/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ADORA3 P0DMS8 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
Carbamic Acid SCHEMBL7775520 0.87 CYP1A2 (0.53) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL7777226 0.86 CYP1A2 (0.68) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL24574540 0.85 CYP1A2 (0.76) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL2946508 0.84 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL34947 0.84 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL17597519 0.83 CYP1A2 (0.96) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL7153063 0.83 CYP1A2 (0.96) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL7775738 0.83 CYP1A2 (0.62) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Hydrochloric Acid SCHEMBL7028557 0.82 CYP1A2 (0.45) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL7778358 0.81 SMN1; SMN2 (0.64) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1

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-0820440-B1 NOVEL CARBAMATE COMPOUNDS HAVING N-SUBSTITUTED THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-08-29 — — EP disclosed
US-5817858-A Carbamate compounds having N-substituted thiocarbamoyl group and process for preparing the same YUKONG LIMITED (KR) 1998-10-06 — — US disclosed
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