SCHEMBL19101806

SCHEMBL19101806

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ HCAR3 P49019 1/20 0.33
▸ NTRK1 P04629 5/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL19101784 0.89 TMPRSS2 (0.43) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL16708527 0.87 TMPRSS2 (0.39) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL19101882 0.86 TMPRSS2 (0.43) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL16708481 0.85 TMPRSS2 (0.41) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL19101807 0.85 TMPRSS2 (0.48) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL19101759 0.85 TMPRSS2 (0.41) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL16708484 0.85 TMPRSS2 (0.42) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL19102179 0.84 TMPRSS2 (0.44) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL16708490 0.82 TMPRSS2 (0.39) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL16708486 0.80 TMPRSS2 (0.38) 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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