SCHEMBL25241981

SCHEMBL25241981

CCc1c(C(=O)O)c(=O)oc2cc(O)c(C#Cc3ccc(-c4ccc(N)cc4)cc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PTPRC P08575 3/20 0.34
▸ PTPN2 P17706 3/20 0.34
▸ PTPN1 P18031 3/20 0.34
▸ PTPN6 P29350 3/20 0.34
▸ PTPN9 P43378 3/20 0.34
▸ DUSP3 P51452 3/20 0.34
▸ PTPN11 Q06124 3/20 0.34
▸ PTPN22 Q9Y2R2 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL25434227 0.82 CCNC (0.35) TLR9L3MBTL1MEN1NPC1RAB9A
SCHEMBL25694965 0.75 GPR35 (0.52) L3MBTL1KDM4EALDH1A1GPR35CA12
SCHEMBL25241979 0.72 MAOB (0.52) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL10651637 0.69 SLC22A12 (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2226799 0.69 ESR2 (0.57) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL25257527 0.68 P2RY14 (0.44) CA12CA9
SCHEMBL25697700 0.66 SLC16A3 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL11484411 0.65 NQO1 (0.52) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL25697689 0.65 GPR35 (0.49) TLR9L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL8083350 0.64 CA12 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD

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
EP-4436956-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2024-10-02 — — EP disclosed
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 — — WO disclosed
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