SCHEMBL25816318

SCHEMBL25816318

CC(C)(C)OC(=O)N1CCN(CC2CCN(c3ccc(CN4CCN(c5cc(-c6ccccc6O)nnc5N)CC4)cc3F)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 16/20 0.65
▸ SMARCA2 P51531 13/20 0.65
▸ SMARCA4 P51532 13/20 0.65
▸ BRD4 O60885 1/20 0.42
▸ NR1I2 O75469 5/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ IDO2 Q6ZQW0 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NR1H2 P55055 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39

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
SCHEMBL25816134 0.93 PBRM1 (0.74) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL25816369 0.85 PBRM1 (0.56) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL30667399 0.81 PBRM1 (1.00) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL18038763 0.81 PBRM1 (1.00) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL23303172 0.80 PBRM1 (0.66) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL29910647 0.80 PBRM1 (0.66) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL23303211 0.79 PBRM1 (0.64) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL29910480 0.79 PBRM1 (0.64) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL18080991 0.78 PBRM1 (0.64) PBRM1SMARCA2SMARCA4BRD4NR1I2
SCHEMBL22776923 0.78 SMARCA2 (0.67) PBRM1SMARCA2SMARCA4BRD4NR1I2

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-2023129506-A1 POTENT AND SELECTIVE SMARCA2 DEGRADING CHIMERIC MOLECULES AS CANCER THERAPEUTICS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-06 — — WO disclosed
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