SCHEMBL20538664

SCHEMBL20538664

CC(C)C(C(=O)Nc1cnc(-n2cccn2)nc1O)c1ccc(P(=O)(O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 12/20 0.38
HDAC1 Q13547 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL20538532 0.91 POLB (0.36) EGLN1MEN1KMT2A
SCHEMBL2561322 0.88 LMNA (0.45) FFAR2HDAC1HDAC3HDAC8LMNA
SCHEMBL14809083 0.88 FFAR2 (0.35) FFAR2HDAC1HDAC3HDAC8LMNA
SCHEMBL20538520 0.86 KMT2A (0.38) LMNAEGLN1MEN1KMT2A
SCHEMBL20538380 0.79 EGLN1 (0.36) FFAR2HDAC1HDAC3HDAC8HDAC4
SCHEMBL2562347 0.79 MAPK1 (0.39) LMNATSHREGLN1
SCHEMBL14809015 0.79 MAPK1 (0.33) EGLN1MEN1KMT2A
SCHEMBL2566721 0.78 POLB (0.45) HDAC1HDAC3LMNAEGLN1
SCHEMBL14809017 0.78 EGLN1 (0.52) LMNAEGLN1
SCHEMBL14809016 0.78 EGLN1 (0.52) LMNAEGLN1

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-2758059-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2018-10-24 EP claimed