SCHEMBL6646019

SCHEMBL6646019

COc1ccc(NC(=NC#N)NCC(Cl)(Cl)CNC(=O)c2cccc(Cl)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
KCNJ11 Q14654 5/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
BRAF P15056 1/20 0.44
RAB9A P51151 2/20 0.43
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL6613378 0.89 KCNQ3 (0.57) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL7691318 0.87 KCNJ11 (0.57) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6612971 0.85 KCNJ11 (0.59) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4678436 0.82 KCNJ11 (0.56) MEN1KMT2AKEAP1NFE2L2KCNJ11
SCHEMBL4678433 0.82 KCNJ11 (0.56) MEN1KMT2AKEAP1NFE2L2KCNJ11
SCHEMBL6611765 0.82 KCNJ11 (0.58) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6615879 0.81 P2RX7 (0.48) MEN1KMT2AKCNJ11RAB9AABCC9
SCHEMBL6615854 0.80 KCNJ11 (0.54) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6611716 0.79 MEN1 (0.45) MEN1KMT2AKCNJ11RAB9ASMN1; SMN2
SCHEMBL810725 0.78 KCNJ11 (0.54) MEN1KMT2AKEAP1NFE2L2KCNJ11

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 disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed