SCHEMBL7140862

SCHEMBL7140862

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)Nc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 2/20 0.55
GAA P10253 2/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 1/20 0.39
NPC1 O15118 5/20 0.39
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
PPARG P37231 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6611475 0.89 KCNJ11 (0.43) KCNJ11GAAKMT2AMEN1RAB9A
SCHEMBL6611355 0.89 KCNJ11 (0.42) KCNJ11GAAKMT2AMEN1RAB9A
SCHEMBL6613974 0.83 NPC1 (0.39) KCNJ11RAB9AALDH1A1P2RX7NPC1
SCHEMBL6612739 0.83 LMNA (0.49) KCNJ11GAAKMT2AMEN1RAB9A
SCHEMBL6611989 0.83 SLC6A9 (0.41) KCNJ11KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL6611088 0.83 KCNJ11 (0.46) KCNJ11GAAKMT2AMEN1RAB9A
SCHEMBL7742482 0.82 MEN1 (0.52) KCNJ11GAAKMT2AMEN1RAB9A
SCHEMBL6640615 0.82 KCNJ11 (0.45) KCNJ11GAAKMT2AMEN1RAB9A
SCHEMBL7736656 0.81 POLB (0.43) KCNJ11KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL6642968 0.80 MEN1 (0.44) KCNJ11KMT2AMEN1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003506355-A 2003-02-18 JP claimed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP claimed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO claimed