SCHEMBL31325796

SCHEMBL31325796

CC1(C(=O)O[C@H]2O[C@@](C#N)(c3ccc4c(N)ncnn34)[C@H](O)[C@@H]2O)CCCCC1.CS(=O)(=O)O

nearest known ligand 0.48

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 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD known ✓ O00329 1/20 0.30
▸ TMPRSS2 O15393 1/20 0.40

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
Sulfuric Acid SCHEMBL30165901 0.98 TMPRSS2 (0.39) TMPRSS2
Sulfuric Acid SCHEMBL30165951 0.98 TMPRSS2 (0.39) TMPRSS2
SCHEMBL30165917 0.96 TMPRSS2 (0.40) TMPRSS2PIK3CD
Bromide SCHEMBL30165903 0.95 TMPRSS2 (0.40) TMPRSS2PIK3CD
SCHEMBL30516180 0.95 TMPRSS2 (0.41) TMPRSS2PIK3CD
Phosphoric Acid SCHEMBL30165932 0.93 TMPRSS2 (0.40) TMPRSS2
Maleic Acid SCHEMBL30165883 0.92 TMPRSS2 (0.38) TMPRSS2
SCHEMBL31239307 0.85 TMPRSS2 (0.39) TMPRSS2
SCHEMBL31239302 0.85 TMPRSS2 (0.39) TMPRSS2
SCHEMBL31239301 0.85 TMPRSS2 (0.39) TMPRSS2

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
CN-115572298-B Crystal form, preparation method and application of nucleoside analogue and salt thereof 苏州旺山旺水生物医药股份有限公司 2024-11-08 — — CN disclosed
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