SCHEMBL19101882

SCHEMBL19101882

O=C(Nc1ncnn2c([C@@H]3O[C@@](CO)(CI)[C@@H](O)[C@H]3F)ccc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ BRD4 O60885 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ HCAR3 P49019 1/20 0.30
▸ EGLN2 Q96KS0 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ RIN1 Q13671 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL19101784 0.95 TMPRSS2 (0.43) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL19101759 0.90 TMPRSS2 (0.41) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL16708481 0.88 TMPRSS2 (0.41) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL19102179 0.88 TMPRSS2 (0.44) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL16708528 0.86 TMPRSS2 (0.39) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL19101806 0.86 TMPRSS2 (0.42) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL19101807 0.83 TMPRSS2 (0.48) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL16708484 0.83 TMPRSS2 (0.42) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL16708516 0.82 POLRMT (0.42) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL16708490 0.82 TMPRSS2 (0.39) TMPRSS2TDP1NPC1ALDH1A1ATM

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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