SCHEMBL23609367

SCHEMBL23609367

O=[N+]([O-])c1ccc(NCCCN2CCCC2)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
POLB P06746 3/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 2/20 0.60
HRH3 Q9Y5N1 4/20 0.49
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL23609309 0.89 MAPT (0.77) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL29973542 0.89 MAPT (0.77) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL21616845 0.84 MAPT (0.60) MAPTPOLBPKMALDH1A1HRH3
SCHEMBL2307734 0.81 MAPT (0.66) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL23671494 0.80 BACE1 (0.63) MAPTPOLBPKMALDH1A1HRH3
SCHEMBL17678258 0.80 MAPT (0.61) MAPTPOLBPKMALDH1A1HRH3
SCHEMBL3995356 0.79 HRH3 (0.57) MAPTPOLBPKMALDH1A1HRH3
SCHEMBL6232184 0.78 MAPT (0.68) MAPTPOLBPKMALDH1A1HRH3
SCHEMBL23609085 0.78 MAPT (0.53) MAPTPOLBPKMALDH1A1HRH3
SCHEMBL17678243 0.78 HRH3 (0.55) MAPTPOLBPKMALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed