SCHEMBL8077323

SCHEMBL8077323

CC(=O)Nc1ccc(=O)n(C2=C(C)C(C)(C)Oc3ccc([N+](=O)[O-])cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MCL1 Q07820 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36
PAX8 Q06710 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL8090547 0.87 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8084424 0.87 KMT2A (0.41) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8085417 0.86 MALT1 (0.37) KMT2AMAPTMEN1ALDH1A1CYP3A4
SCHEMBL8085063 0.85 CA9 (0.35) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL8090686 0.84 CA9 (0.42) KMT2AMEN1ALDH1A1PKMTDP1
SCHEMBL8085054 0.83 ALDH1A1 (0.35) KMT2AMAPTMEN1ALDH1A1CYP3A4
SCHEMBL8085089 0.83 MEN1 (0.37) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL7276803 0.82 DRD2 (0.37) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL8090742 0.81 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8085097 0.81 CFTR (0.38) SMN1; SMN2KMT2AMEN1ALDH1A1GAA

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