SCHEMBL29622145

SCHEMBL29622145

NCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.73
▸ DDB1 Q16531 10/20 0.73
▸ STAT3 P40763 2/20 0.67
▸ HDAC1 Q13547 5/20 0.64
▸ HDAC6 Q9UBN7 5/20 0.64
▸ HDAC3 O15379 2/20 0.64
▸ HDAC2 Q92769 2/20 0.64
▸ HDAC4 P56524 1/20 0.64
▸ NCOR2 Q9Y618 1/20 0.64
▸ TNF P01375 1/20 0.56
▸ IL1B P01584 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ IKZF1 Q13422 1/20 0.56
▸ IKZF3 Q9UKT9 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ SNCA P37840 1/20 0.56
▸ GSK3B P49841 2/20 0.54

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
SCHEMBL17859029 1.00 CRBN (0.73) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL23796444 0.95 CRBN (0.70) CRBNDDB1STAT3HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL17839625 0.94 CRBN (0.68) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL17859033 0.94 STAT3 (0.71) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL29622126 0.94 STAT3 (0.71) CRBNDDB1STAT3HDAC1HDAC6
Hydrochloric Acid SCHEMBL30893263 0.93 STAT3 (0.70) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL21070244 0.93 STAT3 (0.70) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL17859010 0.93 STAT3 (0.70) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL24142023 0.93 STAT3 (0.70) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL17859058 0.93 STAT3 (0.70) CRBNDDB1STAT3HDAC1HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086937-A9 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-02-02 — — WO disclosed
WO-2022086937-A1 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 — — WO disclosed
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