SCHEMBL9434671

SCHEMBL9434671

C[C@@H](N/C(=N/C#N)Nc1cccnc1)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.42
KCNJ11 Q14654 12/20 0.42
ABCC8 Q09428 8/20 0.42
KCNJ8 Q15842 8/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NAMPT P43490 1/20 0.37

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 0.85 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL8775041 0.85 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL7347329 0.85 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL7347332 0.85 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11165563 0.83 LMNA (0.50) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11160950 0.79 ABCC9 (0.51) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL9456838 0.79 ABCC9 (0.51) ABCC9KCNJ11ABCC8KCNJ8KMT2A
Hydrochloric Acid SCHEMBL10447525 0.78 ABCC9 (0.50) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11163664 0.78 ABCC9 (0.47) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11156357 0.77 RAB9A (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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