SCHEMBL598541

SCHEMBL598541

Nc1nc(=O)n([C@@]2(C(=O)c3cccc(Br)c3)C=C[C@@H](CO)O2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCK P27707 9/20 0.37
ALB P02768 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
PARP1 P09874 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
SCHEMBL599040 0.89 DCK (0.42) DCKALBALDH1A1TSHRSMN1; SMN2
SCHEMBL598439 0.85 ALB (0.36) DCKALB
SCHEMBL599496 0.84 DCK (0.37) DCKALBSMN1; SMN2MAPT
SCHEMBL599086 0.84 EP300 (0.37) ALB
SCHEMBL597635 0.83 ALB (0.35) ALB
SCHEMBL598689 0.82 DCK (0.39) DCKALBALDH1A1POLBKDM4E
SCHEMBL599309 0.81 ALB (0.33) ALBKDM4E
SCHEMBL597780 0.80 ALB (0.39) ALB
SCHEMBL599575 0.78 CDK2 (0.36) DCKALBALDH1A1POLBSMN1; SMN2
SCHEMBL597929 0.78 DCK (0.40) DCKALBTSHRNPSR1

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-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed