SCHEMBL24667606

SCHEMBL24667606

N#C[C@@]1(c2ccc3c(NC(=O)c4ccccc4)ncnn23)O[C@H](CO)C(O)C1OC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.65
▸ POLB P06746 1/20 0.36
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NT5E P21589 1/20 0.30
▸ P2RY6 Q15077 1/20 0.30
▸ P2RY14 Q15391 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ ADORA3 P0DMS8 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
SCHEMBL24791785 0.89 TMPRSS2 (0.79) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL24667695 0.89 TMPRSS2 (0.52) TMPRSS2EGLN2
SCHEMBL24917569 0.84 TMPRSS2 (0.63) TMPRSS2POLBEGLN2NPC1ALDH1A1
SCHEMBL26136380 0.84 TMPRSS2 (0.63) TMPRSS2POLBEGLN2NPC1ALDH1A1
SCHEMBL24791240 0.83 TMPRSS2 (0.61) TMPRSS2POLBEGLN2NPC1ALDH1A1
SCHEMBL24667620 0.83 TMPRSS2 (0.53) TMPRSS2POLBEGLN2NPC1ALDH1A1
SCHEMBL24917209 0.82 TMPRSS2 (0.60) TMPRSS2POLBEGLN2NPC1ALDH1A1
SCHEMBL24789441 0.82 TMPRSS2 (0.60) TMPRSS2POLBEGLN2NPC1ALDH1A1
SCHEMBL26136509 0.82 TMPRSS2 (0.60) TMPRSS2POLBEGLN2NPC1ALDH1A1
SCHEMBL25315489 0.82 TMPRSS2 (0.62) TMPRSS2EGLN2NPC1ALDH1A1ATM

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-2022219636-A1 ANTI-VIRAL AND ANTI-TUMORAL COMPOUNDS, AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-10-20 — — WO disclosed
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