SCHEMBL22606726

SCHEMBL22606726

COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.47
▸ DDB1 Q16531 14/20 0.47
▸ POLL Q9UGP5 1/20 0.46
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ IKZF3 Q9UKT9 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ IL1B P01584 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ IKZF1 Q13422 1/20 0.42
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL20759891 0.89 CRBN (0.44) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL21207999 0.85 CRBN (0.58) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL19618073 0.84 CRBN (0.66) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL21087880 0.84 CRBN (0.46) CRBNDDB1IKZF3TNFBRD4
SCHEMBL24712763 0.83 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL19387907 0.83 CRBN (0.59) CRBNDDB1HTR2AHTR2CHTR2B
SCHEMBL22507965 0.83 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21896472 0.83 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL21943742 0.82 CRBN (0.59) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL21107417 0.82 CRBN (0.58) CRBNDDB1HTR2CHTR2BIKZF3

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-2020219650-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 — — WO disclosed
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