SCHEMBL7347329

SCHEMBL7347329

C[C@@H](N/C(=N/C#N)Nc1cccnc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.45
ABCC9 O60706 2/20 0.45
ABCC8 Q09428 2/20 0.45
KCNJ11 Q14654 2/20 0.45
KCNJ8 Q15842 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ACACB O00763 1/20 0.43
EPHX2 P34913 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
NAMPT P43490 2/20 0.42

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
SCHEMBL7347337 1.00 KMT2A (0.47) KMT2AKDM4ELMNAABCC9ABCC8
SCHEMBL8775041 1.00 KMT2A (0.47) KMT2AKDM4ELMNAABCC9ABCC8
SCHEMBL7347332 1.00 KMT2A (0.47) KMT2AKDM4ELMNAABCC9ABCC8
SCHEMBL7423086 0.88 HSD17B10 (0.40) KMT2AABCC9KCNJ11MEN1HTT
SCHEMBL7347341 0.87 ADRB2 (0.42) KMT2AKDM4ELMNAABCC9ABCC8
SCHEMBL11165563 0.86 LMNA (0.50) KMT2ALMNAABCC9ABCC8KCNJ11
SCHEMBL7352521 0.85 ABCC9 (0.39) KMT2AKDM4ELMNAABCC9ABCC8
SCHEMBL8774741 0.85 ABCC9 (0.39) KMT2AKDM4ELMNAABCC9ABCC8
SCHEMBL7356810 0.85 KMT2A (0.47) KMT2AKDM4ELMNAABCC9ABCC8
SCHEMBL4258463 0.85 KMT2A (0.47) KMT2AKDM4ELMNAABCC9ABCC8

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 5 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
WO-1994004499-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed