SCHEMBL31052857

SCHEMBL31052857

CC(C)(C)CC[C@H](Nc1cnccn1)C(=O)O.CS(=O)(=O)O

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK known ✓ P35557 1/20 0.33
▸ PSMB5 P28074 1/20 0.39
▸ GRN P28799 3/20 0.39
▸ SORT1 Q99523 3/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ACHE P22303 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 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
SCHEMBL31052861 0.95 GRN (0.42) PSMB5GRNSORT1RAB9ANPC1
SCHEMBL31052797 0.81 ITGAV (0.42) GRNSORT1KDM4E
SCHEMBL5351943 0.81 PSMB5 (0.43) PSMB5GRNSORT1RAB9ANPC1
SCHEMBL5351947 0.81 PSMB5 (0.43) PSMB5GRNSORT1RAB9ANPC1
SCHEMBL31052905 0.81 GRN (0.41) GRNSORT1ALDH1A1
SCHEMBL18274606 0.77 GAA (0.51) PSMB5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL31052773 0.76 GRN (0.46) GRNSORT1RAB9ANPC1SMN1; SMN2
SCHEMBL31052763 0.76 GRN (0.42) GRNSORT1ALDH1A1
SCHEMBL31052826 0.75 GRN (0.41) GRNSORT1TP53KDM4EALDH1A1
SCHEMBL31052893 0.75 ITGAV (0.44) GRNSORT1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP disclosed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO disclosed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP disclosed
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