SCHEMBL17243780

SCHEMBL17243780

COc1ccc(OCC(N)=NO)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
GAA P10253 4/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ACHE P22303 1/20 0.42
RECQL P46063 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
SCHEMBL4033187 0.82 MAPT (0.51) GAALMNAMAPTKMT2ASMN1; SMN2
SCHEMBL11212890 0.79 KMT2A (0.57) CA12CA1CA2CA7CA9
SCHEMBL17244020 0.79 WDR5 (0.58) CA12CA1CA2CA7CA9
SCHEMBL11045544 0.79 CA2 (0.57) CA12CA1CA2CA7CA9
SCHEMBL3176485 0.76 LMNA (0.62) CA12CA1CA2CA7CA9
SCHEMBL10851561 0.76 RAB9A (0.57) CA12CA1CA2CA7CA9
SCHEMBL17243795 0.75 LMNA (0.49) CA12CA1CA2CA7CA9
SCHEMBL9274238 0.75 KMT2A (0.56) CA12CA1CA2CA7CA9
SCHEMBL14839650 0.75 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL11212886 0.75 CA12 (0.52) CA12CA1CA2CA7CA9

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-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed