SCHEMBL7989963

SCHEMBL7989963

N=C(N)c1ccc(C(=O)NCc2ccc(OCCCOc3ccc(CNC(=O)C4CCNCC4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR2C P28335 1/20 0.47
F2 P00734 3/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
TMPRSS2 O15393 1/20 0.46
KLKB1 P03952 5/20 0.46
PRSS1 P07477 2/20 0.45
LMNA P02545 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
F10 P00742 1/20 0.44

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
SCHEMBL19309488 0.86 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1HTR2CF2PRSS1
SCHEMBL7982578 0.85 TMPRSS2 (0.64) SMN1; SMN2HTR2CF2ITGB3ITGA2B
SCHEMBL7419632 0.82 PRSS1 (0.64) SMN1; SMN2HTR2CF2ITGB3ITGA2B
SCHEMBL7986829 0.81 PRMT1 (0.65) SMN1; SMN2HTR2CF2ITGB3ITGA2B
SCHEMBL7427347 0.81 PRMT1 (0.65) SMN1; SMN2HTR2CF2ITGB3ITGA2B
SCHEMBL7989663 0.81 PRMT1 (0.65) SMN1; SMN2HTR2CF2ITGB3ITGA2B
SCHEMBL7986010 0.81 PRSS1 (0.63) SMN1; SMN2HTR2CF2ITGB3ITGA2B
SCHEMBL7972474 0.81 TMPRSS2 (0.57) SMN1; SMN2HTR2CF2ITGB3ITGA2B
SCHEMBL7972008 0.80 F10 (0.62) SMN1; SMN2F2ITGB3ITGA2BTMPRSS2
SCHEMBL7986022 0.77 F10 (0.45) SMN1; SMN2ITGB3ITGA2BTMPRSS2PRSS1

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed