SCHEMBL22904141

SCHEMBL22904141

NCCCCCCCCCc1ccccc1Oc1cccc2c1C(=O)NC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 6/20 0.42
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ HRH1 P35367 1/20 0.35
▸ AHR P35869 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ CACNG8 Q8WXS5 1/20 0.31
▸ SSTR2 P30874 2/20 0.31
▸ SSTR4 P31391 2/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ LTB4R Q15722 1/20 0.30
▸ LTB4R2 Q9NPC1 1/20 0.30

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 0.83 TDP2 (0.41) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904458 0.83 TDP2 (0.41) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904153 0.83 TDP2 (0.41) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904461 0.81 TDP2 (0.40) TDP2TAAR1
SCHEMBL22904252 0.76 TDP2 (0.51) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904393 0.76 TDP2 (0.51) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904128 0.74 TDP2 (0.51) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904129 0.74 AHR (0.54) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904103 0.74 TDP2 (0.51) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904525 0.73 TDP2 (0.54) TDP2CASP3CASP7CASP9CASP6

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