SCHEMBL29579304

SCHEMBL29579304

O=C1CCC(N2C(=O)c3ccc(N4CCC5(CCN(CC6CCN(C(=O)O)CC6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.61
AR P10275 4/20 0.52
BTK Q06187 3/20 0.50
IRAK1 P51617 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
IRAK3 Q9Y616 1/20 0.50
ITK Q08881 1/20 0.48
DDB1 Q16531 7/20 0.47
CDK9 P50750 1/20 0.45
HPGDS O60760 1/20 0.45

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
SCHEMBL29579504 0.95 CRBN (0.59) CRBNARBTKIRAK1IRAK4
SCHEMBL29579610 0.93 CRBN (0.61) CRBNARBTKIRAK1IRAK4
SCHEMBL27176462 0.93 CRBN (0.65) CRBNARBTKIRAK1IRAK4
SCHEMBL29976419 0.92 CRBN (0.57) CRBNARBTKIRAK1IRAK4
SCHEMBL29579566 0.90 CRBN (0.71) CRBNARDDB1HPGDS
SCHEMBL29132165 0.89 CRBN (0.62) CRBNARBTKIRAK1IRAK4
SCHEMBL29975836 0.88 CRBN (0.59) CRBNARBTKIRAK1IRAK4
SCHEMBL24480602 0.88 CRBN (0.54) CRBNARBTKIRAK1IRAK4
SCHEMBL29578912 0.88 CRBN (0.54) CRBNARBTKIRAK1IRAK4
SCHEMBL29132157 0.88 CRBN (0.63) CRBNARBTKIRAK1IRAK4

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-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 WO disclosed