SCHEMBL8084258

SCHEMBL8084258

CC(=O)Nc1cc(Cl)c(=O)n(C2c3cc([N+](=O)[O-])ccc3OC(C)(C)C2O)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.44
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8085107 0.89 ABCC9 (0.44) ABCC9KMT2AMAPTGAAMEN1
SCHEMBL8085123 0.87 ABCC9 (0.45) ABCC9KMT2AMAPTGAAMEN1
SCHEMBL8085336 0.86 ABCC9 (0.49) ABCC9
SCHEMBL8090747 0.86 ABCC9 (0.49) ABCC9
SCHEMBL8084911 0.85 ABCC9 (0.46) ABCC9KMT2AMAPTSMN1; SMN2
SCHEMBL8088858 0.84 ABCC9 (0.47) ABCC9LMNA
SCHEMBL8084366 0.84 ABCC9 (0.54) ABCC9LMNA
SCHEMBL8077294 0.83 KMT2A (0.41) KMT2AMAPTGAAMEN1PKM
SCHEMBL8085350 0.82 ABCC9 (0.46) ABCC9GAASMN1; SMN2LMNA
SCHEMBL8088369 0.80 ABCC9 (0.49) ABCC9LMNA

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 4 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
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed