SCHEMBL8088508

SCHEMBL8088508

CC1=C(n2cc([N+](=O)[O-])cc(Br)c2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.39
MALT1 Q9UDY8 1/20 0.32
ABCB1 P08183 7/20 0.32
ABCC8 Q09428 2/20 0.31
KCNJ11 Q14654 2/20 0.31
KCNJ8 Q15842 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
VCAM1 P19320 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
P2RY6 Q15077 1/20 0.30

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
SCHEMBL8088791 0.89 ABCC9 (0.39) ABCC9MALT1ABCB1VCAM1P2RY6
SCHEMBL8085230 0.89 ABCC9 (0.39) ABCC9MALT1VCAM1P2RY6
SCHEMBL8085265 0.88 MEN1 (0.35) MALT1
SCHEMBL8090719 0.87 MALT1 (0.34) ABCC9MALT1ABCB1ABCC8KCNJ11
SCHEMBL8077169 0.86 ABCC9 (0.36) ABCC9MALT1VCAM1
SCHEMBL8090263 0.85 MALT1 (0.33) ABCC9MALT1ABCB1ABCC8KCNJ11
SCHEMBL8084525 0.85 ABCC9 (0.40) ABCC9MALT1ABCB1VCAM1P2RY6
SCHEMBL8084273 0.82 VCAM1 (0.38) ABCC9MALT1VCAM1P2RY6
SCHEMBL8085433 0.82 PDE4A (0.40) ABCC9MALT1ABCB1ABCC8KCNJ11
SCHEMBL8189795 0.81 MEN1 (0.36) MALT1

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