SCHEMBL26008657

SCHEMBL26008657

Nc1ccccc1C(=O)NC1CCCCNC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
KDM4E B2RXH2 1/20 1.00
CRBN Q96SW2 2/20 0.63
RAB9A P51151 2/20 0.57
CHEK1 O14757 1/20 0.57
NPC1 O15118 1/20 0.54
CCR2 P41597 8/20 0.53
BDKRB1 P46663 1/20 0.51
KDM1A O60341 1/20 0.45

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
SCHEMBL13162947 0.84 ALDH1A1 (0.74) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL26023751 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ECRBNRAB9ACHEK1
SCHEMBL723165 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ECRBNRAB9ACHEK1
SCHEMBL15087624 0.81 RAB9A (0.75) ALDH1A1KDM4ECRBNRAB9ACHEK1
SCHEMBL8381645 0.81 RAB9A (0.75) ALDH1A1KDM4ECRBNRAB9ACHEK1
SCHEMBL14857154 0.80 ALDH1A1 (0.68) ALDH1A1KDM4ECRBNRAB9ACHEK1
SCHEMBL14857155 0.80 ALDH1A1 (0.68) ALDH1A1KDM4ECRBNRAB9ACHEK1
SCHEMBL12156605 0.78 RAB9A (0.76) ALDH1A1KDM4ECRBNRAB9ACHEK1
SCHEMBL25123978 0.77 CRBN (0.64) ALDH1A1KDM4ECRBN
SCHEMBL17169744 0.77 CRBN (1.00) ALDH1A1KDM4ECRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220930-A2 MAPT-MODULATING COMPOSITIONS AND METHODS OF USE THEREOF ADARX PHARMACEUTICALS, INC. (US) 2024-10-24 WO disclosed
WO-2023154896-A2 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-08-17 WO disclosed