SCHEMBL29986419

SCHEMBL29986419

Nc1ccc(N2CCN(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.70
▸ DDB1 Q16531 9/20 0.64
▸ AR P10275 3/20 0.53
▸ IKZF3 Q9UKT9 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ IKZF1 Q13422 2/20 0.49
▸ TNF P01375 1/20 0.49
▸ IL1B P01584 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ HPGDS O60760 2/20 0.48
▸ BTK Q06187 1/20 0.47
▸ IKZF2 Q9UKS7 1/20 0.47

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
SCHEMBL30985066 0.95 CRBN (0.64) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL29986108 0.93 CRBN (0.69) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL29986789 0.93 CRBN (0.69) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL30400867 0.93 CRBN (0.80) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25172415 0.93 CRBN (0.80) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30985055 0.93 CRBN (0.65) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL30985040 0.93 CRBN (0.65) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL30984751 0.92 CRBN (0.60) CRBNDDB1ARBTK
SCHEMBL29986720 0.91 CRBN (0.68) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL30984987 0.90 CRBN (0.64) CRBNDDB1ARIKZF3ALDH1A1

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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