SCHEMBL23856025

SCHEMBL23856025

N#CC[n+]1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.42
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL9716874 0.80 MEN1 (0.38) CHKARAB9ALMNAMEN1MAPT
SCHEMBL10637518 0.76 CHKA (0.42) CHKARAB9ALMNAF2PRSS1
SCHEMBL13561372 0.70 CHKA (0.49) CHKARAB9A
SCHEMBL6270092 0.69 — —
SCHEMBL9329770 0.67 — —
SCHEMBL11471371 0.67 — —
Bromide SCHEMBL5900297 0.67 BCHE (0.42) —
Hydrochloric Acid SCHEMBL2207314 0.67 CHRNA7 (0.38) —
SCHEMBL12763760 0.67 CHKA (0.42) CHKARAB9ALMNAF2PRSS1
SCHEMBL21005518 0.65 CHKA (0.45) CHKARAB9ALMNAF2PRSS1

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-2021191882-A1 ANTIMALARIAL AGENT, METHODS AND USES THEREOF UNIVERSIDADE DO MINHO (PT) 2021-09-30 — — WO disclosed
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