SCHEMBL8084356

SCHEMBL8084356

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
POLB P06746 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP3A4 P08684 2/20 0.33
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP4 P49662 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
PTPRC P08575 1/20 0.32
S100A4 P26447 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PMM2 O15305 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 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
SCHEMBL8189795 0.91 MEN1 (0.36) MEN1KMT2APOLBMALT1ALDH1A1
SCHEMBL8076960 0.90 MEN1 (0.37) MEN1KMT2APOLBMALT1ALDH1A1
SCHEMBL8077008 0.89 TDP1 (0.39) MEN1KMT2APOLBMALT1ALDH1A1
SCHEMBL8084565 0.88 MEN1 (0.36) MEN1KMT2APOLBMALT1ALDH1A1
SCHEMBL8077169 0.87 ABCC9 (0.36) MALT1MAPT
SCHEMBL8085265 0.85 MEN1 (0.35) MEN1KMT2APOLBMALT1ALDH1A1
SCHEMBL8085097 0.84 CFTR (0.38) MEN1KMT2AALDH1A1LMNA
SCHEMBL8077334 0.83 ALDH1A1 (0.38) MEN1KMT2APOLBMALT1ALDH1A1
SCHEMBL8088765 0.82 CYP3A4 (0.36) MEN1KMT2APOLBMALT1ALDH1A1
SCHEMBL8084975 0.81 HSD17B10 (0.37) MEN1KMT2APOLBMALT1ALDH1A1

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