SCHEMBL11338030

SCHEMBL11338030

Cc1cc(C=NO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ CA2 P00918 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ TYR P14679 1/20 0.59
▸ HTT P42858 1/20 0.58
▸ ALOX12 P18054 1/20 0.57
▸ HSPA5 P11021 1/20 0.49
▸ CYP2C9 P11712 4/20 0.47
▸ CYP2C19 P33261 4/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ MAPT P10636 3/20 0.45
▸ CYP2D6 P10635 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PTGS2 P35354 4/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ MEN1 O00255 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
SCHEMBL12858742 0.82 ERN1 (0.54) SMN1; SMN2ALDH1A1HTTALOX12MAPT
SCHEMBL29365000 0.82 ERN1 (0.54) SMN1; SMN2ALDH1A1HTTALOX12MAPT
SCHEMBL2775430 0.82 HTT (0.58) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL2775429 0.82 HTT (0.58) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL11521296 0.82 HTT (0.58) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL30646074 0.78 ERN1 (0.67) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL311105 0.78 ERN1 (0.67) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL12336953 0.78 ALDH1A1 (0.49) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL14922836 0.77 MAPT (0.43) SMN1; SMN2ALDH1A1HTTALOX12MAPT
SCHEMBL8942958 0.77 MAPT (0.43) SMN1; SMN2ALDH1A1HTTALOX12MAPT

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-4269702-A Ore treatment process IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-26 — — US disclosed
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