SCHEMBL19101754

SCHEMBL19101754

CC(C)(C)[Si](C)(C)O[C@H]1[C@H](c2ccc3c(NC(=O)c4ccccc4)ncnn23)OC(O)(CO)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GRM5 P41594 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
SCHEMBL18371670 0.93 TMPRSS2 (0.39) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL16708475 0.93 TMPRSS2 (0.39) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL19768734 0.93 TMPRSS2 (0.39) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL19101768 0.83 TMPRSS2 (0.42) TMPRSS2TDP1POLB
SCHEMBL16708478 0.81 TMPRSS2 (0.39) TMPRSS2TDP1NPC1RAB9APOLB
SCHEMBL19101769 0.81 TMPRSS2 (0.34) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL19101885 0.81 TMPRSS2 (0.37) TMPRSS2TDP1NPC1RAB9A
SCHEMBL16708476 0.80 SMN1; SMN2 (0.35) TMPRSS2TDP1NPC1ALDH1A1RAB9A
SCHEMBL16708479 0.79 TDP1 (0.35) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL16708474 0.79 TMPRSS2 (0.34) TMPRSS2TDP1NPC1RAB9A

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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