SCHEMBL20214673

SCHEMBL20214673

O=C1CCC(N2C(=O)c3cccc(OCCCCCN4CCN(CCOCCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)c3C2=O)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
BRD9 Q9H8M2 7/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.47
CDK9 P50750 8/20 0.46
EZH2 Q15910 3/20 0.44

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
SCHEMBL29547499 0.89 BRD9 (0.47) BRD9
SCHEMBL20120867 0.89 BRD9 (0.47) BRD9
SCHEMBL20120473 0.87 EGFR (0.48) BRD9
SCHEMBL20120641 0.86 BRD9 (0.48) BRD9
SCHEMBL23418052 0.80 MAPT (0.55) DDB1CRBNBRD9
SCHEMBL30544631 0.80 MAPT (0.55) DDB1CRBNBRD9
SCHEMBL20641349 0.80 MAPT (0.55) DDB1CRBNBRD9
SCHEMBL29547699 0.79 LRRK2 (0.47) BRD9
SCHEMBL20120243 0.79 LRRK2 (0.47) BRD9
SCHEMBL23418101 0.78 STAT3 (0.55) DDB1CRBNBRD9

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
EP-3535265-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2019-09-11 EP disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed