SCHEMBL9425856

SCHEMBL9425856

CC(N=C(NC#N)Nc1ccc(NS(C)(=O)=O)nc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 18/20 0.57
ABCC9 O60706 4/20 0.57
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL9425974 0.80 KCNJ11 (0.64) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
SCHEMBL7361553 0.79 KCNJ11 (0.42) KCNJ11ABCC9
SCHEMBL9425848 0.79 ABL1 (0.38) KCNJ11LMNA
SCHEMBL9456841 0.74 ABCC9 (0.73) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Pinacidil Anhydrous SCHEMBL9351684 0.73 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
(R)-Pinacidil SCHEMBL29484626 0.73 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Naminidil SCHEMBL6375460 0.73 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Pinacidil Anhydrous SCHEMBL1650693 0.73 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Naminidil SCHEMBL1650535 0.73 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Pinacidil Anhydrous SCHEMBL9260276 0.73 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9

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
US-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 US disclosed
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 US disclosed
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 EP disclosed