SCHEMBL31330889

SCHEMBL31330889

Nc1nnc(-c2cc(F)ccc2O)cc1N1CCN(Cc2ccc3c(c2)C(=O)N(N2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 9/20 0.39
▸ SMARCA2 P51531 8/20 0.39
▸ SMARCA4 P51532 8/20 0.39
▸ NR1I2 O75469 2/20 0.39
▸ DRD2 P14416 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DDB1 Q16531 6/20 0.34
▸ CRBN Q96SW2 6/20 0.34
▸ IKZF3 Q9UKT9 5/20 0.34
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL31331332 0.91 PBRM1 (0.51) PBRM1SMARCA2SMARCA4NR1I2DRD2
SCHEMBL31331350 0.88 PBRM1 (0.38) PBRM1SMARCA2SMARCA4NR1I2DRD2
SCHEMBL31331532 0.86 PBRM1 (0.37) PBRM1SMARCA2SMARCA4NR1I2CRBN
SCHEMBL31101071 0.84 PBRM1 (0.41) PBRM1SMARCA2SMARCA4NR1I2DRD2
SCHEMBL31331277 0.82 CRBN (0.36) PBRM1SMARCA2SMARCA4NR1I2CRBN
SCHEMBL31102957 0.82 PBRM1 (0.41) PBRM1SMARCA2SMARCA4NR1I2DRD2
SCHEMBL31101161 0.81 SMARCA2 (0.39) PBRM1SMARCA2SMARCA4NR1I2DRD2
SCHEMBL31330765 0.81 PBRM1 (0.40) PBRM1SMARCA2SMARCA4NR1I2DRD2
SCHEMBL31279210 0.80 PARP1 (0.49) DRD2HTR1ADDB1CRBNIKZF3
SCHEMBL31278850 0.80 ADRA1D (0.42) DRD2HTR1ADDB1CRBNIKZF3

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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