SCHEMBL3225482

SCHEMBL3225482

O=C(NCCOCc1ccccc1)n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ASAH1 Q13510 3/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.48
HRH4 Q9H3N8 1/20 0.43
CYP19A1 P11511 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
FAAH O00519 1/20 0.39
MGLL Q99685 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
SCHEMBL30980576 0.88 LMNA (0.64) SMN1; SMN2ASAH1HTTLMNAHRH4
SCHEMBL590652 0.82 RAB9A (0.52) SMN1; SMN2
SCHEMBL5859633 0.80 NAMPT (0.53) SMN1; SMN2ASAH1
SCHEMBL15570675 0.80 SMN1; SMN2 (0.36) SMN1; SMN2LMNACYP19A1
SCHEMBL23455649 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ASAH1CYP19A1
SCHEMBL5696270 0.79 NPC1 (0.49) HRH4CYP19A1CYP11B1CYP11B2FAAH
SCHEMBL31078952 0.78 SMN1; SMN2 (0.42) SMN1; SMN2HTTLMNAHRH4CYP19A1
SCHEMBL30980602 0.77 LMNA (0.48) SMN1; SMN2HTTLMNAHRH4
SCHEMBL30980778 0.76 HTT (0.44) SMN1; SMN2HTTLMNAHRH4CYP19A1
SCHEMBL12031906 0.76 L3MBTL1 (0.33) SMN1; SMN2HTTLMNA

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-2010015588-A1 BENZYL-SUBSTITUTED TETRACYCLIC HETEROCYCLIC COMPOUNDS NYCOMED GMBH (DE) 2010-02-11 WO disclosed