SCHEMBL10551003

SCHEMBL10551003

CCNC(=O)n1c(N(C)C(=O)O)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 8/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39

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
SCHEMBL9579226 0.90 ASAH1 (0.53) ASAH1ALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL1324358 0.88 ASAH1 (0.60) ASAH1ALDH1A1TSHRGAARAB9A
SCHEMBL9578772 0.86 ASAH1 (0.67) ASAH1ALDH1A1TSHRGAA
SCHEMBL9578882 0.85 KMT2A (0.47) ASAH1ALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL9579243 0.83 SMN1; SMN2 (0.47) ASAH1ALDH1A1TSHRKMT2AL3MBTL1
Benzimidazole SCHEMBL10781773 0.81 ASAH1 (0.49) ASAH1ALDH1A1TSHRL3MBTL1GAA
Benomyl SCHEMBL8819362 0.78 TSHR (0.80) ASAH1ALDH1A1TSHRKMT2AGAA
Thiophanate Methyl SCHEMBL7925889 0.76 ALDH1A1 (0.58) ASAH1ALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL8219165 0.74 ALDH1A1 (0.55) ASAH1ALDH1A1TSHRL3MBTL1GAA
SCHEMBL9578798 0.72 TSHR (0.78) ASAH1ALDH1A1TSHRKMT2AL3MBTL1

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
US-4857541-A APPLYING TO BENOMYL RESISTANT FUNGI CANADIAN PATENTS AND DEVELOPMENT LIMITED/SOCIETE CANADIENNE DES BREVETS ET D'EXPLOITATION LIMITEE (CA) 1989-08-15 — — US disclosed
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