SCHEMBL29721053

SCHEMBL29721053

COc1ccc(C(=O)N2CCC(OC3CCNCC3)CC2)cc1N1C=CCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ BCL9 O00512 4/20 0.39
▸ CTNNB1 P35222 4/20 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
SCHEMBL30612348 0.89 PKM (0.46) LMNAL3MBTL1HPGDLRRK2TLR7
SCHEMBL23123137 0.86 BCL9 (0.39) L3MBTL1HPGDLRRK2HSD11B1BCL9
SCHEMBL30019792 0.82 RBP4 (0.41) LMNAL3MBTL1HPGDCDK1CDK2
SCHEMBL30267336 0.81 LRRK2 (0.41) LMNAL3MBTL1HPGDLRRK2KMT2A
SCHEMBL31696984 0.80 KDM1A (0.40) L3MBTL1HPGDLRRK2TLR7TLR8
SCHEMBL30816887 0.79 FFAR4 (0.39) LMNAL3MBTL1HPGDCDK1CDK2
SCHEMBL21409448 0.79 HSD11B1 (0.42) LMNACDK1CDK2CASP3GSK3B
SCHEMBL29384321 0.79 KMT2A (0.42) LMNAL3MBTL1HPGDTLR7TLR8
SCHEMBL23121698 0.79 HSD11B1 (0.44) LMNAL3MBTL1CDK1CDK2CASP3
Hydrochloric Acid SCHEMBL23122710 0.78 HSD11B1 (0.43) LMNACDK1CDK2CASP3GSK3B

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
CN-114641473-A BRD9 bifunctional degradation agent and use method thereof 诺华股份有限公司 2022-06-17 — — CN disclosed
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