SCHEMBL9579226

SCHEMBL9579226

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 10/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1324358 0.93 ASAH1 (0.60) ASAH1ALDH1A1TSHRHTTTP53
SCHEMBL9578772 0.91 ASAH1 (0.67) ASAH1ALDH1A1TSHRHTTTP53
SCHEMBL10551003 0.90 ASAH1 (0.47) ASAH1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL9578882 0.83 KMT2A (0.47) ASAH1ALDH1A1TSHRKMT2AKDM4E
Benzimidazole SCHEMBL10781773 0.83 ASAH1 (0.49) ASAH1ALDH1A1TSHRHTTTP53
Benomyl SCHEMBL8819362 0.83 TSHR (0.80) ASAH1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL9579243 0.81 SMN1; SMN2 (0.47) ASAH1ALDH1A1TSHRKMT2AHTT
Thiophanate Methyl SCHEMBL7925889 0.80 ALDH1A1 (0.58) ASAH1ALDH1A1TSHRKMT2AHTT
SCHEMBL28313419 0.78 ASAH1 (0.81) ASAH1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL5570257 0.78 TSHR (0.67) ASAH1ALDH1A1TSHRKMT2AKDM4E

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-0256789-B1 SUBSTITUTED BENZIMIDAZOLE FUNGICIDE HER MAJESTY IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF AGRICULTURE (CA) 1993-05-05 — — EP disclosed
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
EP-0256789-A1 Substituted benzimidazole fungicide HER MAJESTY IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF AGRICULTURE (CA) 1988-02-24 — — EP disclosed
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