SCHEMBL7465262

SCHEMBL7465262

COc1ccc(N(C(C)=O)c2cc3c(cc2[N+](=O)[O-])OC(C)(C)C(O)=C3OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
BACE1 P56817 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC2A1 P11166 1/20 0.34
MAPK1 P28482 1/20 0.34
TSPO P30536 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
SCHEMBL7465260 0.92 ALDH1A1 (0.39) ALDH1A1LMNAKEAP1NFE2L2MEN1
SCHEMBL6581298 0.77 KCNH2 (0.42) ALDH1A1LMNAKEAP1NFE2L2MEN1
SCHEMBL6579248 0.73 KCNH2 (0.42) ALDH1A1LMNAKEAP1NFE2L2MEN1
SCHEMBL6584556 0.71 KCNH2 (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7540170 0.71 KCNH2 (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL11552606 0.69 MEN1 (0.52) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7909935 0.69 MEN1 (0.52) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL8933428 0.68 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7143895 0.65 CYP3A4 (0.38) ALDH1A1LMNAKEAP1NFE2L2MEN1
SCHEMBL2113301 0.63 RAB9A (0.61) ALDH1A1MAPTMAOBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214307-A1 4-OXYBENZOPYRAN DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2002-06-19 EP disclosed
WO-2001021609-A1 4-OXYBENZOPYRAN DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed