SCHEMBL31582758

SCHEMBL31582758

Cn1nc(C2CC2)c2cccc(Br)c21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 4/20 0.43
▸ CRBN Q96SW2 4/20 0.43
▸ CYP1A2 P05177 3/20 0.36
▸ GRM4 Q14833 3/20 0.36
▸ BRD4 O60885 3/20 0.34
▸ CREBBP Q92793 3/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL31583269 0.76 L3MBTL1 (0.34) DDB1CRBNLMNATP53THRB
SCHEMBL31582837 0.74 MAPK13 (0.36) DDB1CRBNCYP1A2GRM4BRD4
SCHEMBL13106346 0.74 LMNA (0.43) DDB1CRBNLMNATP53THRB
SCHEMBL15995629 0.73 LMNA (0.34) DDB1CRBNLMNATP53THRB
SCHEMBL30706223 0.73 LMNA (0.37) DDB1CRBNPARP1LMNATP53
SCHEMBL15995385 0.73 DDB1 (0.38) DDB1CRBNPDE10ALMNATP53
SCHEMBL26637934 0.73 LMNA (0.37) DDB1CRBNPARP1LMNATP53
SCHEMBL27140925 0.73 JAK2 (0.35) DDB1CRBNLMNATP53THRB
SCHEMBL15995754 0.70 LMNA (0.33) DDB1CRBNLMNATP53THRB
SCHEMBL31582863 0.70 ADORA3 (0.40) DDB1CRBNLMNATP53THRB

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-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 — — WO disclosed
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