SCHEMBL9578798

SCHEMBL9578798

CCNC(=O)n1c(NC(=O)OC)nc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.78
▸ ALDH1A1 P00352 1/20 0.78
▸ POLB P06746 1/20 0.47
▸ ASAH1 Q13510 7/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL205803 0.90 TSHR (0.87) TSHRALDH1A1POLBASAH1KDM4E
Benomyl SCHEMBL15681 0.88 TSHR (1.00) TSHRALDH1A1POLBASAH1KDM4E
Benomyl SCHEMBL8379451 0.88 TSHR (1.00) TSHRALDH1A1POLBASAH1KDM4E
Benomyl SCHEMBL29379464 0.88 TSHR (1.00) TSHRALDH1A1POLBASAH1KDM4E
Benomyl SCHEMBL3962065 0.87 TSHR (0.98) TSHRALDH1A1POLBASAH1KDM4E
SCHEMBL10699989 0.86 ALDH1A1 (0.70) TSHRALDH1A1POLBASAH1KDM4E
SCHEMBL9578770 0.86 TSHR (0.91) TSHRALDH1A1ASAH1KDM4ENPSR1
SCHEMBL202952 0.85 ALDH1A1 (0.68) TSHRALDH1A1POLBASAH1KDM4E
Benomyl SCHEMBL28721488 0.85 TSHR (0.94) TSHRALDH1A1POLBASAH1KDM4E
Benomyl SCHEMBL27841656 0.85 TSHR (0.94) TSHRALDH1A1POLBASAH1KDM4E

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 4 patents. 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 claimed
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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