SCHEMBL9579243

SCHEMBL9579243

CN(C(=O)O)c1nc2ccccc2n1C(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 4/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ASAH1 Q13510 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ ADORA2A P29274 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
SCHEMBL9578882 0.86 KMT2A (0.47) SMN1; SMN2MAPK1KMT2AALDH1A1CYP1A2
SCHEMBL10551003 0.83 ASAH1 (0.47) MAPK1KMT2AALDH1A1RAB9AMEN1
SCHEMBL9579226 0.81 ASAH1 (0.53) MAPK1KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL9578772 0.77 ASAH1 (0.67) ALDH1A1LMNAASAH1HTTADORA2A
SCHEMBL9578721 0.74 ALDH1A1 (0.65) SMN1; SMN2MAPK1KMT2AALDH1A1LMNA
Benomyl SCHEMBL8819362 0.73 TSHR (0.80) KMT2AALDH1A1LMNANPC1RAB9A
SCHEMBL30670383 0.71 KMT2A (0.54) SMN1; SMN2MAPK1KMT2AALDH1A1LMNA
Benzimidazole SCHEMBL10781773 0.71 ASAH1 (0.49) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL30846021 0.69 KMT2A (0.52) KMT2AALDH1A1LMNACYP1A2CYP2C9
SCHEMBL29195620 0.69 KMT2A (0.52) KMT2AALDH1A1LMNACYP1A2CYP2C9

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