SCHEMBL23875662

SCHEMBL23875662

Cc1ccc(-c2nc3c(F)c(-c4ccccc4[N+](=O)[O-])cc(OCCN(C)C)c3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ACHE P22303 2/20 0.39
▸ MGAM O43451 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ ADORA2A P29274 4/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ EIF4E P06730 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL30060840 0.94 HTR7 (0.40) GAAKDM4EACHEMGAMSI
SCHEMBL25282940 0.94 HTR7 (0.40) GAAKDM4EACHEMGAMSI
SCHEMBL30059610 0.79 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23875720 0.79 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23875711 0.73 HTR7 (0.44) KDM4EACHEALDH1A1LMNAADORA2A
SCHEMBL30060851 0.73 HTR7 (0.44) KDM4EACHEALDH1A1LMNAADORA2A
SCHEMBL23875565 0.72 KDM4E (0.47) GAAKDM4EALDH1A1LMNAAGTR1
SCHEMBL30058021 0.72 GAA (0.46) GAAKDM4EACHEMGAMSI
SCHEMBL23876066 0.72 GAA (0.46) GAAKDM4EACHEMGAMSI
SCHEMBL23876080 0.72 ACHE (0.41) KDM4EACHEADORA2AADORA1ADORA3

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-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 — — WO disclosed
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