SCHEMBL6466464

SCHEMBL6466464

Cc1cc(C2C3=C(CCS3)NC3=C2C(=O)CCC3)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 17/20 0.50
ABCC8 Q09428 17/20 0.50
KCNJ11 Q14654 17/20 0.50
KCNJ8 Q15842 17/20 0.50
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL7234561 0.91 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6432083 0.90 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6903919 0.90 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6903824 0.90 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6431658 0.87 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6433267 0.87 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7239661 0.86 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6909541 0.85 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6467946 0.85 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6470205 0.85 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1

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
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP claimed