SCHEMBL30824822

SCHEMBL30824822

Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(OCC3CCNCC3)cc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.48
▸ KDM1A O60341 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOB P27338 2/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36

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
SCHEMBL27392241 1.00 BRD4 (0.48) BRD4KDM1ATDP1MAOBITGB3
SCHEMBL30824839 0.82 BRD4 (0.59) BRD4KDM1ATDP1
SCHEMBL30824928 0.77 TDP1 (0.48) KDM1ATDP1MAOBITGB3ITGA2B
SCHEMBL27392263 0.77 TDP1 (0.48) KDM1ATDP1MAOBITGB3ITGA2B
SCHEMBL30824929 0.77 TDP1 (0.48) KDM1ATDP1MAOBITGB3ITGA2B
SCHEMBL27392313 0.77 BRD4 (0.42) BRD4
SCHEMBL27392157 0.72 CHEK2 (0.44) BRD4TDP1
SCHEMBL27392163 0.72 BRD4 (0.52) BRD4
SCHEMBL30812080 0.69 BRD4 (0.41) BRD4
SCHEMBL30812158 0.68 BRD4 (0.47) BRD4

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-2024054955-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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