SCHEMBL14247497

SCHEMBL14247497

NCC1(N2CCCC2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14999555 0.89 GAA (0.38) GAARAD52KMT2AKEAP1SMN1; SMN2
SCHEMBL26115598 0.84 GAA (0.38) GAARAD52KMT2A
SCHEMBL1829660 0.83 THRB (0.39) GAARAD52KMT2AKEAP1SMN1; SMN2
SCHEMBL16292376 0.83 GAA (0.37) GAARAD52KMT2AKEAP1SMN1; SMN2
SCHEMBL16143361 0.82 GAA (0.51) GAARAD52KMT2AKEAP1SMN1; SMN2
SCHEMBL24230216 0.82 GAA (0.34) GAARAD52KMT2AKEAP1SMN1; SMN2
SCHEMBL8265735 0.81 KMT2A (0.37) GAARAD52KMT2A
SCHEMBL26177116 0.81 KMT2A (0.37) GAARAD52KMT2A
SCHEMBL25165704 0.81 KMT2A (0.37) GAARAD52KMT2A
SCHEMBL1700249 0.81 THRB (0.41)

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
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed