SCHEMBL882148

SCHEMBL882148

C[C@H]1[C@H](O)[C@@H](COP(=O)(O)NCCc2c[nH]c3ccccc23)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 3/20 0.42
▸ TMPRSS2 O15393 1/20 0.36
▸ MAPT P10636 1/20 0.33
▸ HINT1 P49773 1/20 0.33
▸ INMT O95050 1/20 0.33

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
SCHEMBL10171882 0.91 DCPS (0.36) DCPSTMPRSS2MAPTHINT1INMT
SCHEMBL18697875 0.90 DCPS (0.42) DCPSHINT1INMT
SCHEMBL882461 0.88 DCPS (0.35) DCPSTMPRSS2MAPTHINT1
SCHEMBL10183545 0.86 DCPS (0.41) DCPSMAPTHINT1INMT
SCHEMBL18697904 0.81 TMPRSS2 (0.43) TMPRSS2
SCHEMBL881585 0.81 MAPT (0.39) TMPRSS2MAPT
SCHEMBL14996130 0.79 DCPS (0.36) DCPSMAPTINMT
SCHEMBL10184151 0.79 DCPS (0.36) DCPSMAPTINMT
SCHEMBL18697917 0.78 DCPS (0.35) DCPSMAPTHINT1INMT
SCHEMBL881568 0.77 POLRMT (0.49) TMPRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
Send feedback