SCHEMBL11884864

SCHEMBL11884864

CCCCNC(=O)n1c(NC)nc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ ASAH1 Q13510 7/20 0.65
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46

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
SCHEMBL6926893 0.88 TSHR (0.79) TSHRALDH1A1ASAH1GAAHTT
SCHEMBL675169 0.88 TSHR (0.79) TSHRALDH1A1ASAH1HTTNPSR1
Benomyl SCHEMBL15681 0.85 TSHR (1.00) TSHRALDH1A1ASAH1GAAHTT
Benomyl SCHEMBL29379464 0.85 TSHR (1.00) TSHRALDH1A1ASAH1GAAHTT
Benomyl SCHEMBL8379451 0.85 TSHR (1.00) TSHRALDH1A1ASAH1GAAHTT
Benomyl SCHEMBL3962065 0.84 TSHR (0.98) TSHRALDH1A1ASAH1GAAHTT
SCHEMBL7639089 0.84 ASAH1 (0.73) TSHRALDH1A1ASAH1GAAHTT
SCHEMBL7102687 0.83 TSHR (0.83) TSHRALDH1A1ASAH1GAAHTT
SCHEMBL11743315 0.83 ASAH1 (0.90) TSHRALDH1A1ASAH1LMNAKDM4E
Benomyl SCHEMBL28721488 0.83 TSHR (0.94) TSHRALDH1A1ASAH1GAAHTT

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-3784571-A ORGANIC ACID ADDITION SALTS OF 1-(BUTYL-CARBAMOYL) - 2-(METHYLAMINO)-BENZIMIDAZOLE AND METHOD FOR PREPARING THE SAME DODDS D 1974-01-08 — — US disclosed
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