SCHEMBL22904147

SCHEMBL22904147

NCCCc1ccc(Oc2cccc3c2C(=O)NC(=O)C3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.38
▸ MAOA P21397 9/20 0.38
▸ BCL2 P10415 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP2 P42575 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22904250 0.81 STK10 (0.33) MAOBMAOACASP3CASP2CASP7
SCHEMBL22904497 0.76 CA1 (0.41) —
SCHEMBL22904458 0.74 TDP2 (0.41) MAOBMAOACASP3CASP7CASP6
SCHEMBL22904153 0.74 TDP2 (0.41) MAOBMAOACASP3CASP7CASP6
SCHEMBL22904154 0.74 TDP2 (0.41) MAOBMAOACASP3CASP7CASP6
SCHEMBL22909125 0.72 SOD1 (0.40) MAOBMAOACASP3LMNASMN1; SMN2
SCHEMBL30830771 0.71 HTR2A (0.42) CASP3
SCHEMBL5506330 0.70 MAOA (0.51) MAOBMAOACASP3CASP2CASP7
SCHEMBL22904554 0.69 LMNA (0.44) CASP3CASP2CASP7CASP6CASP8
SCHEMBL16628857 0.69 MAOA (0.41) MAOBMAOACASP3LMNASMN1; SMN2

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
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