SCHEMBL29579504

SCHEMBL29579504

O=C1CCC(N2C(=O)c3ccc(N4CCC5(CCN(CC6CCN(C(=O)O)C6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.59
BTK Q06187 3/20 0.49
AR P10275 5/20 0.49
IRAK1 P51617 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
IRAK3 Q9Y616 1/20 0.48
ITK Q08881 2/20 0.47
DDB1 Q16531 7/20 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
SCHEMBL29579610 0.95 CRBN (0.61) CRBNBTKARIRAK1IRAK4
SCHEMBL29579304 0.95 CRBN (0.61) CRBNBTKARIRAK1IRAK4
SCHEMBL29132157 0.93 CRBN (0.63) CRBNBTKARIRAK1IRAK4
SCHEMBL27028395 0.93 CRBN (0.63) CRBNBTKARIRAK1IRAK4
SCHEMBL29132165 0.93 CRBN (0.62) CRBNBTKARIRAK1IRAK4
SCHEMBL22291629 0.89 CRBN (0.57) CRBNBTKARITKDDB1
SCHEMBL24480418 0.89 CRBN (0.53) CRBNBTKARIRAK1IRAK4
SCHEMBL29578832 0.89 CRBN (0.53) CRBNBTKARIRAK1IRAK4
SCHEMBL27176462 0.88 CRBN (0.65) CRBNBTKARIRAK1IRAK4
SCHEMBL29976419 0.87 CRBN (0.57) CRBNBTKARIRAK1IRAK4

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