SCHEMBL9578772

SCHEMBL9578772

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 11/20 0.67
▸ ALDH1A1 P00352 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ NAMPT P43490 2/20 0.44
▸ TP53 P04637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NAAA Q02083 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42

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 0.95 ASAH1 (0.60) ASAH1ALDH1A1TSHRTP53LMNA
SCHEMBL9579226 0.91 ASAH1 (0.53) ASAH1ALDH1A1TSHRTP53HTT
SCHEMBL10551003 0.86 ASAH1 (0.47) ASAH1ALDH1A1TSHRGAA
Benomyl SCHEMBL8819362 0.85 TSHR (0.80) ASAH1ALDH1A1TSHRTP53LMNA
Benzimidazole SCHEMBL10781773 0.85 ASAH1 (0.49) ASAH1ALDH1A1TSHRTP53LMNA
Thiophanate Methyl SCHEMBL7925889 0.82 ALDH1A1 (0.58) ASAH1ALDH1A1TSHRLMNAGAA
SCHEMBL9578882 0.80 KMT2A (0.47) ASAH1ALDH1A1TSHR
SCHEMBL9579243 0.77 SMN1; SMN2 (0.47) ASAH1ALDH1A1TSHRADORA2AADORA1
SCHEMBL27523135 0.76 ASAH1 (0.65) ASAH1ALDH1A1TSHRTP53LMNA
SCHEMBL7639089 0.76 ASAH1 (0.73) ASAH1ALDH1A1TSHRTP53LMNA

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
Send feedback