SCHEMBL22136180

SCHEMBL22136180

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

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 8/20 0.73
▸ DDB1 Q16531 6/20 0.73
▸ STAT3 P40763 2/20 0.69
▸ HDAC1 Q13547 5/20 0.67
▸ HDAC6 Q9UBN7 5/20 0.67
▸ HDAC3 O15379 2/20 0.67
▸ HDAC2 Q92769 2/20 0.67
▸ HDAC4 P56524 1/20 0.67
▸ NCOR2 Q9Y618 1/20 0.67
▸ GSK3B P49841 3/20 0.58
▸ BRD4 O60885 2/20 0.58
▸ TRIM24 O15164 3/20 0.57

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
SCHEMBL18379831 0.97 CRBN (0.71) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL25917709 0.97 CRBN (0.70) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL23015901 0.97 CRBN (0.70) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL19764193 0.97 CRBN (0.70) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL21163040 0.95 CRBN (0.75) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL26320196 0.95 STAT3 (0.76) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL19764198 0.94 CRBN (0.67) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL23584020 0.94 CRBN (0.71) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL18494154 0.93 CRBN (0.67) CRBNDDB1STAT3HDAC1HDAC6
SCHEMBL24391010 0.92 CRBN (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
Send feedback