SCHEMBL31331332

SCHEMBL31331332

Nc1nnc(-c2ccccc2O)cc1N1CCN(Cc2ccc3c(c2)C(=O)N(N2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 17/20 0.51
▸ SMARCA2 P51531 14/20 0.51
▸ SMARCA4 P51532 14/20 0.51
▸ NR1I2 O75469 8/20 0.51
▸ BRD4 O60885 1/20 0.42
▸ NR1H2 P55055 4/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38

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
SCHEMBL31330889 0.91 PBRM1 (0.39) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31331483 0.87 PBRM1 (0.49) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31331243 0.85 PBRM1 (0.47) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31101965 0.83 PBRM1 (0.53) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31103132 0.81 PBRM1 (0.52) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31331283 0.81 PBRM1 (0.47) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31100500 0.80 PBRM1 (0.50) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31279066 0.79 ADRA1D (0.48) HTR1ADRD2
SCHEMBL31278906 0.78 DRD2 (0.50) DRD2
SCHEMBL31279330 0.77 DRD4 (0.52) HTR1ADRD2

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-2024245443-A1 COMPOUND BASED ON OXOISOINDOLINYL SUBSTITUTED TETRAHYDRO-2-PYRIMIDONE, AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-12-05 — — WO claimed
WO-2024245443-A1 COMPOUND BASED ON OXOISOINDOLINYL SUBSTITUTED TETRAHYDRO-2-PYRIMIDONE, AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-12-05 — — WO disclosed
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