SCHEMBL11557211

SCHEMBL11557211

Nc1cccnc1Nc1ccc2c(c1)COC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ MAPK14 Q16539 3/20 0.39
▸ BACE1 P56817 8/20 0.38
▸ BACE2 Q9Y5Z0 4/20 0.38
▸ EGFR P00533 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ CTSD P07339 1/20 0.35

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
SCHEMBL10094249 0.81 SYK (0.48) SYKSMN1; SMN2BACE1BACE2PIK3CA
SCHEMBL11562332 0.78 MAPT (0.55) SYKSMN1; SMN2
SCHEMBL7697294 0.75 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7695744 0.74 CA12 (0.68) SYKCA12CA1CA2CA9
SCHEMBL30269611 0.74 CLK1 (0.53) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL11557056 0.74 CLK1 (0.53) CA12CA1CA2CA9SMN1; SMN2
Hydrochloric Acid SCHEMBL11554953 0.73 CLK1 (0.52) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL19851118 0.71 CA12 (0.63) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL1859867 0.71 CA12 (0.63) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6804491 0.71 CA12 (0.51) SYKCA12CA1CA2CA9

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-4144341-A ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 — — US disclosed
Send feedback