SCHEMBL7736656

SCHEMBL7736656

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)Nc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
RAPGEF3 O95398 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
KCNK3 O14649 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40

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
SCHEMBL7742482 0.91 MEN1 (0.52) POLBNPC1RAB9AKCNK3MEN1
SCHEMBL6612032 0.89 KMT2A (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6612989 0.89 RXFP1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6641043 0.86 KCNJ11 (0.47) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL6611989 0.86 SLC6A9 (0.41) POLBRAPGEF3RAPGEF4NPC1RAB9A
SCHEMBL6613372 0.86 CXCR3 (0.46) NPC1MEN1KMT2ACYP1A2MAPT
SCHEMBL7741529 0.85 ABCC9 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6611355 0.84 KCNJ11 (0.42) POLBRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7145794 0.84 KCNJ11 (0.44) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7140044 0.82 NPC1 (0.41) NPC1RAB9AKCNK3MEN1KMT2A

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-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed