SCHEMBL27257481

SCHEMBL27257481

N[C@@H](CCCCC1(c2ccccn2)CCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ NOS1 P29475 3/20 0.38
▸ SLC1A5 Q15758 2/20 0.37
▸ ARG1 P05089 1/20 0.37
▸ KIF11 P52732 3/20 0.36
▸ GSR P00390 1/20 0.36
▸ ANPEP P15144 1/20 0.35
▸ MME P08473 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
SCHEMBL30788892 0.85 SLC6A9 (0.37) EPHX2SLC1A5KIF11
SCHEMBL32670641 0.85 SLC6A9 (0.37) EPHX2SLC1A5KIF11
SCHEMBL27257486 0.85 SLC6A9 (0.37) EPHX2SLC1A5KIF11
SCHEMBL27257479 0.85 SLC6A9 (0.37) EPHX2SLC1A5KIF11
SCHEMBL27259706 0.85 SLC6A9 (0.38) EPHX2SLC1A5KIF11
SCHEMBL6984588 0.76 HSD11B1 (0.44) EPHX2
SCHEMBL1261305 0.74 DPP4 (0.46) POLBKMT2ATDP1KIF11
SCHEMBL32670418 0.72 GRIN1 (0.41) EPHX2
SCHEMBL28102643 0.70 HRH1 (0.55) POLBKMT2ATDP1NOS1SLC1A5
SCHEMBL28102642 0.70 HRH1 (0.55) POLBKMT2ATDP1NOS1SLC1A5

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-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 — — WO disclosed
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