SCHEMBL6612978

SCHEMBL6612978

COc1ncccc1NC(=NC#N)NCC(Cl)(Cl)CNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.58
KCNJ11 Q14654 3/20 0.58
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GPR6 P46095 1/20 0.39
IDO1 P14902 1/20 0.39
GAA P10253 1/20 0.38
KDR P35968 1/20 0.38
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL6613905 0.92 P2RX7 (0.49) P2RX7KCNJ11L3MBTL1MAPTKDM4E
SCHEMBL6615879 0.91 P2RX7 (0.48) P2RX7KCNJ11L3MBTL1MAPTNPC1
SCHEMBL6644164 0.88 RAB9A (0.55) P2RX7KCNJ11L3MBTL1MAPTKDM4E
SCHEMBL4682449 0.81 KCNJ11 (0.69) P2RX7KCNJ11L3MBTL1MAPTKDM4E
SCHEMBL4682445 0.81 KCNJ11 (0.69) P2RX7KCNJ11L3MBTL1MAPTKDM4E
SCHEMBL6611088 0.80 KCNJ11 (0.46) P2RX7KCNJ11L3MBTL1MAPTKDM4E
SCHEMBL6640615 0.79 KCNJ11 (0.45) P2RX7KCNJ11L3MBTL1MAPTKDM4E
SCHEMBL7742276 0.79 ABCC9 (0.56) KCNJ11MAPTKDM4EMEN1KMT2A
SCHEMBL6613703 0.76 KCNQ3 (0.54) KCNJ11
SCHEMBL7140862 0.74 KCNJ11 (0.55) P2RX7KCNJ11L3MBTL1MAPTKDM4E

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-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP claimed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed