SCHEMBL8774741

SCHEMBL8774741

CC(N/C(=N/C#N)Nc1cccnc1)c1cccc([Sn](C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.39
KCNJ11 Q14654 11/20 0.39
ABCC8 Q09428 7/20 0.39
KCNJ8 Q15842 7/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
ACACB O00763 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
P2RX4 Q99571 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
BRAF P15056 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7352521 1.00 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL7347341 0.85 ADRB2 (0.42) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL7347332 0.85 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL7347337 0.85 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL8775041 0.85 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL7347329 0.85 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL7352529 0.80 ABCC9 (0.48) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11165563 0.79 LMNA (0.50) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL9434671 0.75 ABCC9 (0.42) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11160950 0.74 ABCC9 (0.51) ABCC9KCNJ11ABCC8KCNJ8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP disclosed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US disclosed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed