SCHEMBL25470943

SCHEMBL25470943

CN1CCC(N2CCC(N3CCC(I)CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL3 Q96JM7 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NCF1 P14598 1/20 0.34
▸ TLR9 Q9NR96 3/20 0.33
▸ TLR7 Q9NYK1 3/20 0.33
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ POLB P06746 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
SCHEMBL19288538 1.00 ALDH1A1 (0.39) ALDH1A1L3MBTL3L3MBTL1NCF1TLR9
SCHEMBL806098 0.84 — —
SCHEMBL26577467 0.82 L3MBTL3 (0.44) ALDH1A1L3MBTL3L3MBTL1NCF1GAA
SCHEMBL14307143 0.82 L3MBTL1 (0.44) ALDH1A1L3MBTL3L3MBTL1NCF1GAA
SCHEMBL23269640 0.82 L3MBTL1 (0.44) ALDH1A1L3MBTL3L3MBTL1NCF1GAA
SCHEMBL26042916 0.82 L3MBTL3 (0.47) ALDH1A1L3MBTL3L3MBTL1NCF1GAA
SCHEMBL17082653 0.82 CYP2D6 (0.33) L3MBTL3L3MBTL1
SCHEMBL20080153 0.81 L3MBTL1 (0.34) ALDH1A1L3MBTL3L3MBTL1NCF1KDM4E
SCHEMBL3436969 0.79 L3MBTL1 (0.46) ALDH1A1L3MBTL3L3MBTL1NCF1GAA
SCHEMBL12772837 0.79 L3MBTL3 (0.46) ALDH1A1L3MBTL3L3MBTL1NCF1GAA

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
EP-4180432-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 — — EP disclosed
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