SCHEMBL8077012

SCHEMBL8077012

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MALT1 Q9UDY8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MIF P14174 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
APEX1 P27695 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP4 P49662 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
CASP6 P55212 1/20 0.33
PTPRC P08575 1/20 0.33
S100A4 P26447 1/20 0.33
CA1 P00915 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
SCHEMBL8084975 0.93 HSD17B10 (0.37) MEN1KMT2AMALT1ALDH1A1CYP3A4
SCHEMBL8084565 0.91 MEN1 (0.36) MEN1KMT2AMALT1ALDH1A1MIF
SCHEMBL8088643 0.90 CYP3A4 (0.36) MEN1KMT2AMALT1ALDH1A1MIF
SCHEMBL8077044 0.90 PDE7A (0.34) MEN1KMT2AMALT1ALDH1A1CYP3A4
SCHEMBL8085089 0.86 MEN1 (0.37) MEN1KMT2AMALT1ALDH1A1MIF
SCHEMBL8077303 0.85 ALDH1A1 (0.36) MEN1KMT2AMALT1ALDH1A1CYP3A4
SCHEMBL8084424 0.85 KMT2A (0.41) MEN1KMT2AALDH1A1CYP3A4NPC1
SCHEMBL8084420 0.85 CFTR (0.38) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL8076960 0.83 MEN1 (0.37) MEN1KMT2AMALT1ALDH1A1CYP3A4
SCHEMBL8085265 0.82 MEN1 (0.35) MEN1KMT2AMALT1ALDH1A1CYP3A4

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