SCHEMBL3701757

SCHEMBL3701757

CCC(C)(C)N=C(Nc1cccnc1)N(I)C#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.63
KCNJ11 Q14654 3/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
ABCC8 Q09428 1/20 0.63
KCNJ8 Q15842 1/20 0.63
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL12648389 0.77 ABCC9 (1.00) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL2129487 0.77 ABCC9 (1.00) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL2129489 0.77 ABCC9 (1.00) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL8747789 0.75 KMT2A (0.63) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL1610107 0.72 MEN1 (0.51) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL6647586 0.69 ABCC9 (0.62) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL2497201 0.69 ABCC9 (0.62) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL11168464 0.68 ABCC9 (0.60) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL11153475 0.67 LMNA (0.45) ABCC9KCNJ11KMT2AMEN1CYP1A2
SCHEMBL11162954 0.67 ABCC9 (0.80) ABCC9KCNJ11KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111518-A1 TREATMENT AND PREVENTION OF WHITE MATTER INJURY WITH KATP CHANNEL ACTIVATORS YALE UNIVERSITY (US) 2010-09-30 WO claimed