SCHEMBL19101807

SCHEMBL19101807

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.48
▸ EGLN2 Q96KS0 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ADORA3 P0DMS8 4/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ TMIGD3 P0DMS9 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ CSF1R P07333 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
SCHEMBL16708484 0.91 TMPRSS2 (0.42) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL16710856 0.91 TMPRSS2 (0.51) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL16710418 0.91 TMPRSS2 (0.51) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL16708488 0.87 TMPRSS2 (0.43) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL19101784 0.87 TMPRSS2 (0.43) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL19101806 0.85 TMPRSS2 (0.42) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL19101882 0.83 TMPRSS2 (0.43) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL19101759 0.83 TMPRSS2 (0.41) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL25392214 0.82 TMPRSS2 (0.44) TMPRSS2
SCHEMBL16708481 0.81 TMPRSS2 (0.41) TMPRSS2NPC1ALDH1A1ATMTDP1

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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