SCHEMBL24538669

SCHEMBL24538669

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COP(=O)(O)S)[C@@H](O)[C@H]1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.49
▸ POLRMT O00411 1/20 0.39
▸ P2RY1 P47900 3/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ PLCG1 P19174 1/20 0.32
▸ NT5E P21589 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ DNPH1 O43598 1/20 0.32
▸ PRKAB2 O43741 1/20 0.32
▸ TRPM2 O94759 1/20 0.32
▸ LDHA P00338 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ FBP1 P09467 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ P2RY2 P41231 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL17719237 0.93 TMPRSS2 (0.50) TMPRSS2POLRMTP2RY1SIRT2SIRT1
SCHEMBL18298281 0.92 TMPRSS2 (0.51) TMPRSS2POLRMTP2RY1SIRT2SIRT1
SCHEMBL26326132 0.91 TMPRSS2 (0.49) TMPRSS2POLRMTP2RY1SIRT2SIRT1
SCHEMBL20500115 0.91 TMPRSS2 (0.50) TMPRSS2POLRMTP2RY1SIRT2SIRT1
SCHEMBL25378413 0.91 TMPRSS2 (0.50) TMPRSS2POLRMTP2RY1SIRT2SIRT1
SCHEMBL17719238 0.90 POLRMT (0.48) TMPRSS2POLRMT
SCHEMBL24917304 0.89 TMPRSS2 (0.47) TMPRSS2POLRMTP2RY1SRCP2RY2
Rdv-Tp SCHEMBL24492745 0.88 POLRMT (0.51) TMPRSS2POLRMTP2RY1
Rdv-Tp SCHEMBL10120881 0.88 POLRMT (0.51) TMPRSS2POLRMTP2RY1
Rdv-Tp SCHEMBL23278555 0.88 POLRMT (0.51) TMPRSS2POLRMTP2RY1

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
WO-2022127914-A1 NUCLEOSIDE-THIODIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-23 — — WO disclosed
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