SCHEMBL8090742

SCHEMBL8090742

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 7/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.36
POLB P06746 2/20 0.36
HSP90AA1 P07900 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
SCHEMBL8090476 0.87 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8088667 0.87 KMT2A (0.42) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8085035 0.86 ALDH1A1 (0.38) KMT2AMAPTMEN1ALDH1A1CYP3A4
SCHEMBL10698039 0.84 CA9 (0.36) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL8077041 0.84 CA9 (0.42) SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL8077069 0.82 ALDH1A1 (0.35) KMT2AMAPTMEN1ALDH1A1MCL1
SCHEMBL8077241 0.82 ALDH1A1 (0.36) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL8088372 0.82 PDE4A (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL8077323 0.81 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8084419 0.81 CFTR (0.38) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1

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