SCHEMBL14833305

SCHEMBL14833305

COc1ccccc1C(=O)n1nc(C2CCOCC2)nc1NCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.83
▸ KLKB1 P03952 13/20 0.75
▸ KLK1 P06870 2/20 0.62
▸ F10 P00742 2/20 0.59
▸ MAPT P10636 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ USP2 O75604 1/20 0.57

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
SCHEMBL20506477 0.86 KLKB1 (1.00) F2KLKB1KLK1F10
SCHEMBL20506221 0.77 KLKB1 (0.83) F2KLKB1KLK1F10
SCHEMBL12282625 0.77 KLKB1 (1.00) F2KLKB1KLK1F10MAPT
SCHEMBL20506395 0.76 KLKB1 (1.00) F2KLKB1KLK1F10MAPT
SCHEMBL14833813 0.75 KLKB1 (0.84) F2KLKB1KLK1F10
SCHEMBL14833262 0.75 KLKB1 (1.00) F2KLKB1KLK1F10
SCHEMBL14833188 0.75 F2 (0.81) F2KLKB1KLK1F10MAPT
SCHEMBL14833480 0.74 KLKB1 (1.00) F2KLKB1KLK1F10MAPT
SCHEMBL14706239 0.74 KLKB1 (1.00) F2KLKB1KLK1F10MAPT
SCHEMBL14833254 0.74 KLKB1 (0.75) F2KLKB1KLK1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049591-A2 DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF VERSEON CORPORATION (US) 2013-04-04 — — WO claimed
WO-2013049591-A2 DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF VERSEON CORPORATION (US) 2013-04-04 — — WO disclosed
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