SCHEMBL22904458

SCHEMBL22904458

NCCCCCc1ccc(Oc2cccc3c2C(=O)NC(=O)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 4/20 0.41
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP9 P55211 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ AHR P35869 1/20 0.32
▸ EIF2AK2 P19525 1/20 0.32
▸ HRH1 P35367 2/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR5 Q9H1C0 1/20 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
SCHEMBL22904154 1.00 TDP2 (0.41) TDP2MAOBMAOACASP3CASP7
SCHEMBL22904153 1.00 TDP2 (0.41) TDP2MAOBMAOACASP3CASP7
SCHEMBL22904461 0.89 TDP2 (0.40) TDP2EIF2AK2
SCHEMBL22904141 0.83 TDP2 (0.42) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904553 0.80 TDP2 (0.39) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904407 0.79 DRD2 (0.42) —
SCHEMBL22904525 0.78 TDP2 (0.54) TDP2MAOBMAOACASP3CASP7
SCHEMBL22904274 0.77 TDP2 (0.50) TDP2MAOBMAOACASP3CASP7
SCHEMBL22904298 0.77 TDP2 (0.50) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904366 0.77 TDP2 (0.45) TDP2MAOBCASP3CASP7CASP9

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
Send feedback