SCHEMBL8077294

SCHEMBL8077294

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
PPARG P37231 2/20 0.34
TP53 P04637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL8085122 0.89 SMN1; SMN2 (0.37) KMT2AMAPTMEN1GAAPKM
SCHEMBL8088428 0.87 SMN1; SMN2 (0.40) KMT2AMAPTMEN1GAAPKM
SCHEMBL8085094 0.87 HSD17B10 (0.35) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8085254 0.86 MAPT (0.35) KMT2AMAPTMEN1GAAPKM
SCHEMBL8084307 0.86 ABCC9 (0.35) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL8090465 0.84 MAPT (0.34) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8085315 0.84 DRD2 (0.44)
SCHEMBL8084258 0.83 ABCC9 (0.44) KMT2AMAPTMEN1GAAPKM
SCHEMBL8090757 0.82 GAA (0.34) KMT2AMAPTMEN1GAAPKM
SCHEMBL8088491 0.80 ALDH1A1 (0.36) KMT2AMAPTMEN1GAASMN1; SMN2

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