SCHEMBL31052905

SCHEMBL31052905

CC(C)(C)CC[C@H](Nc1cncnc1)C(=O)O.CS(=O)(=O)O

nearest known ligand 0.41

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 12)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 3/20 0.41
▸ SORT1 Q99523 3/20 0.41
▸ ITGAV P06756 1/20 0.35
▸ ITGB1 P05556 2/20 0.33
▸ ITGA4 P13612 2/20 0.33
▸ BCAT2 O15382 1/20 0.31
▸ PYGL P06737 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 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
SCHEMBL31052820 0.94 GRN (0.45) GRNSORT1ITGAVITGB1ITGA4
SCHEMBL31052883 0.82 GRN (0.44) GRNSORT1ITGAVITGB1ITGA4
SCHEMBL31052926 0.82 GRN (0.44) GRNSORT1ITGAVITGB1ITGA4
SCHEMBL31052857 0.81 PSMB5 (0.39) GRNSORT1ALDH1A1
SCHEMBL31052797 0.80 ITGAV (0.42) GRNSORT1ITGAVITGB1ITGA4
SCHEMBL31052770 0.78 FDPS (0.44) GRNSORT1CYP2C9ALDH1A1
SCHEMBL31052871 0.77 GRN (0.45) GRNSORT1MMP2
SCHEMBL29213382 0.77 GRN (0.42) GRNSORT1ITGAVPYGLCYP2C9
SCHEMBL29213385 0.77 GRN (0.42) GRNSORT1ITGAVPYGLCYP2C9
SCHEMBL29213463 0.77 GRN (0.42) GRNSORT1ITGAVPYGLCYP2C9

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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