SCHEMBL13932708

SCHEMBL13932708

COc1cc(C(=O)NCCNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.63
▸ POLB P06746 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ATM Q13315 1/20 0.48
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL4474701 0.91 KCNH2 (0.62) KCNH2POLBMAPK1SMN1; SMN2KMT2A
SCHEMBL4475502 0.89 KCNH2 (0.60) KCNH2POLBMAPK1SMN1; SMN2KMT2A
SCHEMBL4459637 0.89 KCNH2 (0.60) KCNH2POLBMAPK1SMN1; SMN2KMT2A
SCHEMBL4456998 0.89 KCNH2 (0.60) KCNH2POLBMAPK1SMN1; SMN2KMT2A
SCHEMBL13932375 0.87 KCNH2 (0.64) KCNH2
SCHEMBL5634360 0.80 KCNH2 (0.72) KCNH2
SCHEMBL5634365 0.79 KCNH2 (0.52) KCNH2POLBMAPK1SMN1; SMN2KMT2A
SCHEMBL4472864 0.79 KCNH2 (0.63) KCNH2
SCHEMBL4464147 0.78 SLC6A3 (0.58) POLBSMN1; SMN2
SCHEMBL5632884 0.78 KCNH2 (0.81) KCNH2

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-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US disclosed
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