SCHEMBL29943546

SCHEMBL29943546

Nc1nnc(-c2ccccc2O)cc1N1CC2CCC(C1)N2c1cc(F)cc(CN2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 13/20 0.48
▸ SMARCA4 P51532 13/20 0.48
▸ PBRM1 Q86U86 14/20 0.46
▸ BRD4 O60885 1/20 0.40
▸ NR1I2 O75469 3/20 0.40
▸ CHRM4 P08173 3/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36

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
SCHEMBL29943157 0.92 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1BRD4NR1I2
SCHEMBL30797027 0.92 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1BRD4NR1I2
SCHEMBL23301459 0.92 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1BRD4NR1I2
SCHEMBL29942615 0.89 CHRM4 (0.42) CHRM4
SCHEMBL29910839 0.89 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1BRD4CHRM4
SCHEMBL23301166 0.89 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1BRD4CHRM4
SCHEMBL23301401 0.86 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1CHRM4
SCHEMBL29910593 0.86 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1CHRM4
SCHEMBL23303238 0.83 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1BRD4NR1I2
SCHEMBL29910641 0.83 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1BRD4NR1I2

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
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 — — EP disclosed
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