SCHEMBL30812080

SCHEMBL30812080

Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(CC3CCNCC3)nc2)c2ccn(C)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.41
▸ BRD2 P25440 2/20 0.39
▸ BRD3 Q15059 2/20 0.39
▸ BRDT Q58F21 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL30812158 0.89 BRD4 (0.47) BRD4
SCHEMBL30812155 0.78 BRD4 (0.46) BRD4
SCHEMBL30812104 0.78 BRD4 (0.46) BRD4BRD2BRD3BRDT
SCHEMBL30812333 0.77 BRD4 (0.54) BRD4
SCHEMBL30812004 0.77 BRD4 (0.45) BRD4
SCHEMBL30812277 0.77 SLC6A4 (0.38) —
SCHEMBL30811953 0.76 BRD4 (0.49) BRD4BRD2BRD3BRDTHDAC1
SCHEMBL30812202 0.74 BRD4 (0.47) BRD4
SCHEMBL31683453 0.72 BRD4 (0.48) BRD4
SCHEMBL31683534 0.71 BRD4 (0.45) 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-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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