SCHEMBL6615293

SCHEMBL6615293

N#CN=C(NCCCNC(=O)c1ccc(Cl)cc1)Nc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.57
CYP11B2 P19099 2/20 0.57
NAMPT P43490 4/20 0.56
ABCC9 O60706 8/20 0.53
KCNJ11 Q14654 8/20 0.53
ABCC8 Q09428 6/20 0.53
KCNJ8 Q15842 6/20 0.53
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 1/20 0.46

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
SCHEMBL4682845 0.90 CYP11B1 (0.59) CYP11B1CYP11B2NAMPTABCC9KCNJ11
SCHEMBL4682843 0.90 CYP11B1 (0.59) CYP11B1CYP11B2NAMPTABCC9KCNJ11
SCHEMBL7742276 0.86 ABCC9 (0.56) CYP11B1CYP11B2NAMPTABCC9KCNJ11
SCHEMBL6614997 0.86 ABCC9 (0.52) CYP11B1CYP11B2NAMPTABCC9KCNJ11
SCHEMBL7742284 0.86 ABCC9 (0.54) CYP11B1CYP11B2NAMPTABCC9KCNJ11
SCHEMBL7741529 0.85 ABCC9 (0.58) CYP11B1CYP11B2NAMPTABCC9KCNJ11
SCHEMBL810378 0.84 IKBKB (0.56) NAMPTKMT2AMAPK1
SCHEMBL6641546 0.82 ABCC9 (0.53) CYP11B1CYP11B2NAMPTABCC9KCNJ11
SCHEMBL6647532 0.82 ABCC9 (0.54) CYP11B1CYP11B2NAMPTABCC9KCNJ11
SCHEMBL6611583 0.81 ABCC9 (0.54) CYP11B1CYP11B2NAMPTABCC9KCNJ11

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