SCHEMBL7465260

SCHEMBL7465260

COc1ccc(N(C(C)=O)c2cc3c(cc2[N+](=O)[O-])OC(C)(C)C(O)=C3OCCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
MAPK1 P28482 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTPN1 P18031 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
MAOA P21397 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP19A1 P11511 1/20 0.33
MGAT2 Q10469 1/20 0.33
SLC2A1 P11166 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL7465262 0.92 ALDH1A1 (0.40) ALDH1A1LMNAKEAP1NFE2L2MAPK1
SCHEMBL6579248 0.78 KCNH2 (0.42) ALDH1A1LMNAKEAP1NFE2L2MAPK1
SCHEMBL6581298 0.72 KCNH2 (0.42) ALDH1A1LMNAKEAP1NFE2L2MAPK1
SCHEMBL6584556 0.70 KCNH2 (0.41) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL7540170 0.70 KCNH2 (0.40) ALDH1A1LMNAMAPK1SMN1; SMN2KMT2A
SCHEMBL11552606 0.68 MEN1 (0.52) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL7909935 0.68 MEN1 (0.52) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL8933428 0.67 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL8697187 0.60 SMN1; SMN2 (0.46) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL31393785 0.60 KMT2A (0.66) ALDH1A1KEAP1NFE2L2KMT2AMEN1

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