SCHEMBL8085325

SCHEMBL8085325

CC(=O)Nc1cc(Cl)cn(C2c3cc(C#N)ccc3OC(C)(C)C2O)c1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 16/20 0.57
▸ ABCC8 Q09428 2/20 0.52
▸ KCNJ11 Q14654 2/20 0.52
▸ KCNJ8 Q15842 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ABCB1 P08183 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8090533 0.89 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8077320 0.86 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084366 0.86 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084942 0.85 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084595 0.85 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084911 0.84 ABCC9 (0.46) ABCC9
SCHEMBL8085232 0.83 ABCC9 (0.42) ABCC9KDM4E
SCHEMBL8085140 0.83 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084958 0.82 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8077030 0.81 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 — — US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 — — US disclosed
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