SCHEMBL8085122

SCHEMBL8085122

CC(=O)Nc1cc(Br)c(=O)n(C2c3cc([N+](=O)[O-])ccc3OC(C)(C)C2(C)O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 6/20 0.35
MAPT P10636 5/20 0.35
GAA P10253 4/20 0.34
MEN1 O00255 4/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSP90AA1 P07900 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.32
MCL1 Q07820 1/20 0.32
ABCC9 O60706 1/20 0.32

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
SCHEMBL8077294 0.89 KMT2A (0.41) SMN1; SMN2KMT2AMAPTGAAMEN1
SCHEMBL8088428 0.87 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMAPTGAAMEN1
SCHEMBL8088752 0.87 ABCC9 (0.35) SMN1; SMN2KMT2AMAPTGAAMEN1
SCHEMBL8090671 0.86 ABCC9 (0.35) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL8090757 0.86 GAA (0.34) SMN1; SMN2KMT2AMAPTGAAMEN1
SCHEMBL8088875 0.85 ABCC9 (0.34) SMN1; SMN2KMT2AMAPTGAAMEN1
SCHEMBL8085192 0.84 DRD2 (0.40) LMNAKDM4ECYP1A2ABCC9
SCHEMBL8085254 0.83 MAPT (0.35) SMN1; SMN2KMT2AMAPTGAAMEN1
SCHEMBL8085107 0.83 ABCC9 (0.44) SMN1; SMN2KMT2AMAPTGAAMEN1
SCHEMBL8090587 0.80 CFTR (0.38) SMN1; SMN2MAPTGAAATMCYP1A2

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