SCHEMBL23133038

SCHEMBL23133038

CNc1cnccc1NCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AOC1 P19801 5/20 0.42
▸ AOC3 Q16853 5/20 0.42
▸ KDM4C Q9H3R0 9/20 0.41
▸ KDM6B O15054 6/20 0.41
▸ LATS1 O95835 2/20 0.33
▸ LATS2 Q9NRM7 2/20 0.33

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
SCHEMBL23133119 0.94 AOC1 (0.42) AOC1AOC3KDM4CKDM6BLATS1
SCHEMBL24846458 0.81 KDM4C (0.54) AOC1AOC3KDM4CKDM6BLATS1
SCHEMBL23133104 0.80 TSHR (0.34) —
SCHEMBL21267252 0.78 MAPT (0.39) —
SCHEMBL23133101 0.75 CYP1A2 (0.38) KDM4CKDM6B
SCHEMBL23133117 0.75 CYP1A2 (0.41) AOC1AOC3
SCHEMBL24846289 0.74 KDM4C (0.54) AOC1AOC3KDM4CKDM6BLATS1
SCHEMBL4754435 0.73 AOC1 (0.57) AOC1AOC3KDM4C
SCHEMBL30448578 0.73 AOC1 (0.57) AOC1AOC3KDM4C
SCHEMBL19669164 0.73 F2 (0.40) —

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-2021055849-A1 HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2021-03-25 — — WO disclosed
Send feedback