SCHEMBL18214649

SCHEMBL18214649

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ HINT1 P49773 1/20 0.32
▸ INMT O95050 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ DCPS Q96C86 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31

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
SCHEMBL10183545 0.88 DCPS (0.41) MAPTABCC1HINT1INMTDCPS
SCHEMBL14996130 0.83 DCPS (0.36) MAPTABCC1INMTALDH1A1DCPS
SCHEMBL10184151 0.83 DCPS (0.36) MAPTABCC1INMTALDH1A1DCPS
SCHEMBL10184144 0.82 DCPS (0.35) MAPTHINT1MEN1KMT2ADCPS
SCHEMBL18214643 0.79 DCPS (0.34) DCPS
SCHEMBL18214669 0.78 TNK2 (0.32) —
SCHEMBL10149577 0.76 MAPT (0.38) MAPTLMNAPOLB
SCHEMBL12465037 0.75 DCPS (0.35) MAPTABCC1HINT1INMTALDH1A1
SCHEMBL10149707 0.73 POLRMT (0.38) —
SCHEMBL18697844 0.73 POLRMT (0.38) —

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
EP-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 — — EP disclosed
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