SCHEMBL11329037

SCHEMBL11329037

COC(=O)O/N=C(/C#N)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL11329039 1.00 MAPT (0.44) MAPTCYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL6969365 0.81
SCHEMBL9429335 0.81
SCHEMBL8569989 0.81
SCHEMBL10736721 0.79 ALDH1A1 (0.41) MAPTCYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL11440259 0.79 ALDH1A1 (0.41) MAPTCYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL10736729 0.79 ALDH1A1 (0.41) MAPTCYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL10737435 0.79 TSHR (0.33) MAPTCYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL10737430 0.79 TSHR (0.33) MAPTCYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL11327513 0.77 ALDH1A1 (0.44) MAPTCYP1A2CYP3A4CYP2C9ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30752-E CHEMICAL REACTANT FOR PROTECTING AMINO OR IMINO GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-29 US disclosed
US-4010178-A Carbonic acid esters, and the preparation thereof and their use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-03-01 US disclosed
US-3976635-A Novel esterifying agents, and their production and use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-24 US disclosed