SCHEMBL8090719

SCHEMBL8090719

CC1=C(n2cc(Br)cc(Br)c2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.34
ABCB1 P08183 9/20 0.34
ABCC9 O60706 7/20 0.34
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CASP3 P42574 1/20 0.31

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
SCHEMBL8090263 0.90 MALT1 (0.33) MALT1ABCB1ABCC9ABCC8KCNJ11
SCHEMBL8088721 0.90 MALT1 (0.33) MALT1ABCB1ABCC9ABCC8KCNJ11
SCHEMBL8088508 0.87 ABCC9 (0.39) MALT1ABCB1ABCC9ABCC8KCNJ11
SCHEMBL8077169 0.86 ABCC9 (0.36) MALT1ABCC9
SCHEMBL8084925 0.85 EGLN2 (0.33) MALT1ABCC9
SCHEMBL8077023 0.85 EGLN2 (0.36) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8076916 0.81 ABCC9 (0.38) MALT1ABCB1ABCC9
SCHEMBL8189795 0.81 MEN1 (0.36) MALT1CASP3
SCHEMBL8085129 0.80 PDE4A (0.43) MALT1ABCB1ABCC9ABCC8KCNJ11
SCHEMBL8085360 0.79 ABCC9 (0.37) MALT1ABCB1ABCC9PDE4APDE4B

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 5 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
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed