SCHEMBL29720997

SCHEMBL29720997

O=C1CCN(c2cc(F)ccc2C(=O)O)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CRBN Q96SW2 10/20 0.45
DDB1 Q16531 9/20 0.45
TNKS O95271 5/20 0.44
KEAP1 Q14145 1/20 0.41
TNKS2 Q9H2K2 3/20 0.39
PARP1 P09874 2/20 0.38
P2RX7 Q99572 1/20 0.36
GRM5 P41594 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
SCHEMBL30160881 0.83 CRBN (0.51) KDM4EALDH1A1HPGDCRBNDDB1
SCHEMBL29721390 0.80 TNKS (0.46) KDM4EALDH1A1HPGDCRBNDDB1
SCHEMBL31218916 0.80 TNKS (0.63) KDM4EALDH1A1HPGDCRBNDDB1
SCHEMBL30674307 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDCRBNDDB1
SCHEMBL31653832 0.76 KEAP1 (0.43) KDM4EALDH1A1HPGDKEAP1P2RX7
SCHEMBL317703 0.76 KEAP1 (0.43) KDM4EALDH1A1HPGDKEAP1P2RX7
SCHEMBL29606630 0.76 CRBN (0.49) KDM4EALDH1A1HPGDCRBNDDB1
SCHEMBL21409229 0.76 CRBN (0.49) KDM4EALDH1A1HPGDCRBNDDB1
SCHEMBL23983302 0.75 CRBN (0.63) HPGDCRBNDDB1PARP1P2RX7
SCHEMBL21409269 0.75 CRBN (0.45) KDM4EALDH1A1HPGDCRBNDDB1

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