SCHEMBL9298614

SCHEMBL9298614

CC(/N=C(\NC#N)Nc1ccc(C(F)(F)F)cc1)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 14/20 0.72
ABCC9 O60706 8/20 0.72
CYP3A4 P08684 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2C9 P11712 1/20 0.72
ALOX15 P16050 1/20 0.72
NFKB1 P19838 1/20 0.72
MAPK1 P28482 1/20 0.72
CYP2C19 P33261 1/20 0.72
HIF1A Q16665 1/20 0.72
HSD17B10 Q99714 1/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.72
GLA P06280 1/20 0.72
BLM P54132 1/20 0.72
PMP22 Q01453 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
QPCT Q16769 1/20 0.46
DHODH Q02127 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL9298619 1.00 KCNJ11 (0.72) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
SCHEMBL7758063 0.87 KCNJ11 (0.64) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
SCHEMBL7758066 0.87 KCNJ11 (0.64) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
SCHEMBL8140974 0.85 ABCC9 (0.71) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
SCHEMBL8140969 0.85 ABCC9 (0.71) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
SCHEMBL8140968 0.85 ABCC9 (0.71) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Pinacidil Anhydrous SCHEMBL1650693 0.84 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Naminidil SCHEMBL1650535 0.84 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Pinacidil Anhydrous SCHEMBL9351684 0.84 ABCC9 (1.00) KCNJ11ABCC9CYP3A4CYP1A2CYP2C9
Naminidil SCHEMBL6375460 0.84 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
EP-0354553-A2 Aryl cyanoguanidines: potassium channel activators and method of making same E.R. SQUIBB & SONS, INC. (US) 1990-02-14 EP claimed
US-5278169-A Method of treating or prevention of fibrillation of the heart E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed
US-5011837-A Aryl cyanoguanidines: potassium channel activators and method of making same E. R. SQUIBB & SONS, INC. (US) 1991-04-30 US disclosed