SCHEMBL8774802

SCHEMBL8774802

CC(C)(N/C(=N/C#N)Nc1cccnc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.50
KCNJ11 Q14654 7/20 0.50
ABCC8 Q09428 5/20 0.50
KCNJ8 Q15842 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 1/20 0.43
NAMPT P43490 4/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
TBXA2R P21731 1/20 0.39

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
SCHEMBL8774807 1.00 ABCC9 (0.50) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL9551254 0.86 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL9463611 0.86 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL6647586 0.84 ABCC9 (0.62) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL2497201 0.84 ABCC9 (0.62) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11156357 0.83 RAB9A (0.57) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11162938 0.82 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11152102 0.81 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11157789 0.81 ABCC9 (0.51) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11168464 0.81 ABCC9 (0.60) 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 2 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 claimed
EP-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP disclosed