SCHEMBL29973153

SCHEMBL29973153

CN(C)CCOc1c(NCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.46
CACNA1B Q00975 2/20 0.45
EGFR P00533 1/20 0.45
ADRA1A P35348 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
GAA P10253 2/20 0.44
KCNH2 Q12809 2/20 0.44
HTR6 P50406 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL23609776 1.00 MAPT (0.47) MAPTL3MBTL1KDM4ECACNA1BEGFR
SCHEMBL23579367 0.89 NPC1 (0.54) MAPTL3MBTL1KDM4ECACNA1BGAA
SCHEMBL23609771 0.88 CACNA1B (0.46) MAPTL3MBTL1KDM4ECACNA1BPOLB
SCHEMBL28852498 0.83 L3MBTL1 (0.54) MAPTL3MBTL1KDM4EADRA1AHTR1A
SCHEMBL23609223 0.79 HTR6 (0.48) CACNA1BHTR6DRD2
SCHEMBL30227197 0.79 HTR6 (0.48) CACNA1BHTR6DRD2
SCHEMBL1971829 0.76 GAA (0.49) MAPTL3MBTL1KDM4EGAAKCNH2
SCHEMBL102602 0.75 MAPT (0.77) MAPTL3MBTL1EGFRGAAHTR6
SCHEMBL23609423 0.75 CHRNB2 (0.51) MAPTKDM4EADRA1AHTR1AADRA1D
SCHEMBL23875541 0.75 CHRNB2 (0.51) MAPTKDM4EGAAPOLBSMN1; SMN2

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
EP-4125874-A1 LIPOXYGENASE INHIBITORS SRI International (US) 2023-02-08 EP disclosed
CN-115335046-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-11-11 CN disclosed
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP disclosed
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed