SCHEMBL19101768

SCHEMBL19101768

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1c1ccc2c(NC(=O)c3ccccc3)ncnn12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42
▸ LGALS9 O00182 2/20 0.36
▸ LGALS1 P09382 2/20 0.36
▸ LGALS3 P17931 2/20 0.36
▸ LGALS7; LGALS7B P47929 2/20 0.36
▸ ADORA1 P30542 3/20 0.34
▸ POLB P06746 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ FGF1 P05230 1/20 0.32
▸ FGF2 P09038 1/20 0.32
▸ VEGFA P15692 1/20 0.32
▸ HPSE Q9Y251 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL19101885 0.93 TMPRSS2 (0.37) TMPRSS2TDP1
SCHEMBL16708478 0.92 TMPRSS2 (0.39) TMPRSS2POLBADORA3TDP1
SCHEMBL25495980 0.88 TMPRSS2 (0.36) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL16708476 0.87 SMN1; SMN2 (0.35) TMPRSS2ADORA3TDP1
SCHEMBL16708474 0.86 TMPRSS2 (0.34) TMPRSS2TDP1
SCHEMBL16708473 0.85 TMPRSS2 (0.49) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL19101754 0.83 TMPRSS2 (0.40) TMPRSS2POLBTDP1
SCHEMBL16708477 0.83 TMPRSS2 (0.47) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL19101769 0.82 TMPRSS2 (0.34) TMPRSS2TDP1
SCHEMBL25496003 0.81 PDE4B (0.33) TMPRSS2TDP1

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
US-9701682-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2017-07-11 — — US disclosed
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