SCHEMBL29986754

SCHEMBL29986754

O=C1CCC(N2Cc3cc(N4CCN(C5CCN(c6ccc([N+](=O)[O-])cc6)CC5)CC4)ccc3C2=O)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.52
▸ IKZF2 Q9UKS7 5/20 0.51
▸ ESR1 P03372 1/20 0.49
▸ DDB1 Q16531 1/20 0.48
▸ WIZ O95785 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.44

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
SCHEMBL30985073 0.93 IKZF2 (0.49) CRBNIKZF2ESR1DDB1WIZ
SCHEMBL30985051 0.92 CRBN (0.47) CRBNIKZF2ESR1DDB1WIZ
SCHEMBL30984708 0.90 CRBN (0.47) CRBNIKZF2ESR1DDB1WIZ
SCHEMBL30984941 0.90 CRBN (0.47) CRBNIKZF2ESR1DDB1WIZ
SCHEMBL30985054 0.88 CRBN (0.62) CRBNIKZF2ESR1DDB1WIZ
SCHEMBL29986828 0.88 CRBN (0.66) CRBNIKZF2ESR1DDB1WIZ
SCHEMBL30984741 0.86 CRBN (0.48) CRBNIKZF2DDB1MEN1KMT2A
SCHEMBL30984672 0.85 CRBN (0.47) CRBNIKZF2DDB1MEN1KMT2A
SCHEMBL30942549 0.85 IKZF2 (0.56) CRBNIKZF2ESR1WIZCSNK1A1
SCHEMBL27424055 0.85 IKZF2 (0.56) CRBNIKZF2ESR1WIZCSNK1A1

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
WO-2022251224-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2022-12-01 — — WO disclosed
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