SCHEMBL24204841

SCHEMBL24204841

CN1CCC(N2CCN(CC3CN(I)C3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCF1 P14598 1/20 0.33
KDM1A O60341 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL24319406 0.88 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1L3MBTL3L3MBTL1
SCHEMBL24480704 0.87 KDM1A (0.37) ALDH1A1NCF1KDM1ACACNA2D1CACNA1B
SCHEMBL24481342 0.85 NCF1 (0.32) KDM4EL3MBTL1NCF1
SCHEMBL24204398 0.84 NCF1 (0.41) ALDH1A1KDM4ETDP1L3MBTL3L3MBTL1
SCHEMBL12772840 0.84 NCF1 (0.39) ALDH1A1KDM4ETDP1L3MBTL3L3MBTL1
SCHEMBL24204800 0.84 NCF1 (0.43) ALDH1A1KDM4ETDP1L3MBTL3L3MBTL1
SCHEMBL24351550 0.83 NCF1 (0.37) ALDH1A1KDM4ETDP1L3MBTL3L3MBTL1
SCHEMBL27267885 0.83 KMT2A (0.37) ALDH1A1KDM4ETDP1L3MBTL3L3MBTL1
SCHEMBL24204675 0.82 NCF1 (0.42) ALDH1A1KDM4ETDP1L3MBTL3L3MBTL1
SCHEMBL23875466 0.82 SMN1; SMN2 (0.38) ALDH1A1KDM4ETDP1L3MBTL3L3MBTL1

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-2022012623-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed