SCHEMBL29973231

SCHEMBL29973231

O=[N+]([O-])c1ccc(NCC2(CN3CCOCC3)COC2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 6/20 0.47
PKM P14618 4/20 0.47
RAB9A P51151 1/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
CTSB P07858 1/20 0.42
KCNJ1 P48048 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL23609749 1.00 ALDH1A1 (0.48) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL23579554 0.94 ALDH1A1 (0.50) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL23579288 0.83 ALDH1A1 (0.60) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL29973226 0.83 ALDH1A1 (0.60) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL25784498 0.83 ALDH1A1 (0.54) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL23609753 0.82 MAPT (0.62) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL30405851 0.82 NR1H2 (0.37) ALDH1A1POLBMAPTRAB9ALMNA
SCHEMBL29975374 0.82 MAPT (0.62) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL23609322 0.82 NR1H2 (0.37) ALDH1A1POLBMAPTRAB9ALMNA
SCHEMBL29973233 0.81 ALDH1A1 (0.45) ALDH1A1POLBMAPTPKMKMT2A

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-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