SCHEMBL8355876

SCHEMBL8355876

Cc1cc(N)c2cc(NC(=O)CCCCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 3/20 0.73
GNB1 P62873 3/20 0.73
MEN1 O00255 1/20 0.73
MMP1 P03956 1/20 0.73
MMP9 P14780 1/20 0.73
ALOX15 P16050 1/20 0.73
BLM P54132 1/20 0.73
KMT2A Q03164 1/20 0.73

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
SCHEMBL13320819 0.99 GNG2 (0.71) GNG2GNB1MEN1MMP1MMP9
SCHEMBL8356376 0.99 GNG2 (0.71) GNG2GNB1MEN1MMP1MMP9
SCHEMBL13320815 0.97 GNG2 (0.73) GNG2GNB1MEN1MMP1MMP9
SCHEMBL8355892 0.94 GNG2 (0.65) GNG2GNB1MEN1MMP1MMP9
SCHEMBL8358129 0.94 GNG2 (0.65) GNG2GNB1MEN1MMP1MMP9
SCHEMBL8358236 0.92 GNG2 (0.73) GNG2GNB1MEN1MMP1MMP9
SCHEMBL3238446 0.91 GNG2 (0.71) GNG2GNB1MEN1MMP1MMP9
SCHEMBL8352418 0.91 GNG2 (0.79) GNG2GNB1MEN1MMP1MMP9
Aminoquinuride SCHEMBL29852258 0.85 GNG2 (1.00) GNG2GNB1MEN1MMP1MMP9
SCHEMBL8359605 0.85 GNG2 (0.83) GNG2GNB1MEN1MMP1MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998027815-A1 SUBSTITUTED AMINOQUINOLINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-07-02 WO claimed
US-5919776-A ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASE MERCK & CO., INC. (US) 1999-07-06 US disclosed
WO-1998027815-A1 SUBSTITUTED AMINOQUINOLINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-07-02 WO disclosed