SCHEMBL6985556

SCHEMBL6985556

COc1ccncc1Nc1c(NCC(C)(C)CNC(=O)c2cc(F)cc(F)c2)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
KCNA5 P22460 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TYK2 P29597 1/20 0.35
PDE4D Q08499 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KMT2A Q03164 3/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL6991619 0.82 TYK2 (0.37) TYK2PDE4DMAPT
SCHEMBL6988688 0.81 ABCC9 (0.41) NPC1RAB9AL3MBTL1TYK2TSHR
SCHEMBL4366803 0.80 NPC1 (0.36) KCNA3KCNA5NPC1RAB9ASMN1; SMN2
SCHEMBL6985552 0.79 GAA (0.35) NPC1RAB9ASMN1; SMN2MAPK1GSK3A
SCHEMBL6988211 0.78 POLB (0.40) NPC1RAB9AMAPK1L3MBTL1ALDH1A1
SCHEMBL6989487 0.74 ALDH1A1 (0.49) RAB9ASMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL6991687 0.71 KMT2A (0.42) NPC1RAB9ASMN1; SMN2MAPK1USP2
SCHEMBL6990458 0.70 CSF1R (0.44) NPC1RAB9AALDH1A1KMT2ATSHR
SCHEMBL6988050 0.70 ALPL (0.43) RAB9ASMN1; SMN2MAPK1L3MBTL1USP2
SCHEMBL6986333 0.69 MEN1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed