SCHEMBL8813784

SCHEMBL8813784

CCOC(=O)Cc1csc(NC(=O)/C(C#N)=C(/C)O)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ LMNA P02545 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ MAPK1 P28482 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ PKM P14618 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ESR2 Q92731 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL9081508 1.00 SMN1; SMN2 (0.60) SMN1; SMN2GAALMNAPOLBTP53
SCHEMBL1340139 0.83 SMN1; SMN2 (0.70) SMN1; SMN2GAALMNAPOLBTP53
SCHEMBL1341401 0.81 SMN1; SMN2 (0.70) SMN1; SMN2GAALMNAPOLBTP53
SCHEMBL6220893 0.81 MAPT (0.74) SMN1; SMN2GAALMNAPOLBTP53
SCHEMBL9080024 0.78 RAB9A (0.50) SMN1; SMN2GAAPOLBTP53HTT
SCHEMBL8809685 0.78 RAB9A (0.50) SMN1; SMN2GAAPOLBTP53HTT
SCHEMBL11368738 0.77 SMN1; SMN2 (0.72) SMN1; SMN2GAALMNAPOLBTP53
SCHEMBL11370116 0.76 LMNA (0.75) SMN1; SMN2GAALMNAPOLBTP53
SCHEMBL11009364 0.75 SMN1; SMN2 (0.69) SMN1; SMN2GAALMNAPOLBTP53
SCHEMBL9232215 0.75 GAA (1.00) SMN1; SMN2GAALMNAPOLBTP53

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
EP-0527736-B1 ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS HOECHST AG (DE) 1997-04-16 — — EP disclosed
US-5532259-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-02 — — US disclosed
US-5494911-A TREATING LEUKEMIA, SARCOMA, CARCINOMA, LYMPHOMA, SKIN CANCER HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-27 — — US disclosed
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