SCHEMBL30225594

SCHEMBL30225594

Cn1c(=O)n(C2CCCNC2)c2ccc(CCCCCOC3CCNCC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.39
▸ HDAC1 Q13547 3/20 0.35
▸ DDB1 Q16531 2/20 0.35
▸ CRBN Q96SW2 2/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ KDM1A O60341 3/20 0.32
▸ GNRHR P30968 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ HPD P32754 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ BRD4 O60885 2/20 0.31
▸ CREBBP Q92793 2/20 0.31

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
SCHEMBL28650168 0.96 NMT1 (0.40) NMT1HDAC1DDB1CRBNDRD2
SCHEMBL28644888 0.93 NMT1 (0.40) NMT1HDAC1DDB1CRBNPIK3CA
SCHEMBL31282297 0.85 NMT1 (0.39) NMT1HDAC1DDB1CRBNDRD2
SCHEMBL29172794 0.85 DDB1 (0.38) HDAC1DDB1CRBNDRD2SLC6A4
SCHEMBL26635076 0.85 DDB1 (0.38) HDAC1DDB1CRBNDRD2SLC6A4
SCHEMBL31282399 0.85 DDB1 (0.38) HDAC1DDB1CRBNDRD2SLC6A4
SCHEMBL30225575 0.85 HDAC1 (0.40) HDAC1DDB1CRBNDRD2SLC6A4
SCHEMBL26634973 0.84 DDB1 (0.39) HDAC1DDB1CRBNDRD2SLC6A4
SCHEMBL29991433 0.83 DDB1 (0.39) HDAC1DDB1CRBNDRD2SLC6A4
SCHEMBL30225615 0.82 KHK (0.40) HDAC1DDB1CRBNDRD2SLC6A4

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-4121043-A1 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 — — EP disclosed
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