SCHEMBL7742482

SCHEMBL7742482

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.40
S1PR3 Q99500 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNK3 O14649 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
SNCA P37840 1/20 0.39

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
SCHEMBL7140044 0.91 NPC1 (0.41) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL6611989 0.91 SLC6A9 (0.41) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL7736656 0.91 POLB (0.43) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6612989 0.89 RXFP1 (0.52) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL6612032 0.87 KMT2A (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6611475 0.85 KCNJ11 (0.43) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6611355 0.85 KCNJ11 (0.42) MEN1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL6611716 0.83 MEN1 (0.45) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7741529 0.83 ABCC9 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7140862 0.82 KCNJ11 (0.55) MEN1KMT2ARAB9ANPC1SMN1; 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 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