SCHEMBL14372289

SCHEMBL14372289

CCn1nc2n(c1=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.36
▸ SCN5A Q14524 3/20 0.36
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL14372255 0.95 POLB (0.38) MMP2MMP3MMP9MMP13
SCHEMBL9377590 0.79 KCNH2 (0.39) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL12013041 0.76 BRD4 (0.38) —
SCHEMBL3521417 0.75 TP53 (0.43) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL3524929 0.75 KCNH2 (0.42) KCNH2SCN5A
SCHEMBL9496530 0.74 HTT (0.38) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL9377308 0.74 MMP2 (0.38) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL3524695 0.73 KCNH2 (0.35) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL9378019 0.73 MMP2 (0.39) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL9485950 0.73 MMP2 (0.39) MMP2MMP3MMP9MMP13

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
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 — — US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 — — US disclosed
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