SCHEMBL20538355

SCHEMBL20538355

O=C(Nc1cnc(-c2cccnn2)nc1O)C(c1ccccc1)c1ccc(P(=O)(O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
EGLN1 Q9GZT9 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
GAA P10253 2/20 0.38
HDAC4 P56524 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CSNK1D P48730 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
EP300 Q09472 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
SCHEMBL14809370 0.87 CSNK1D (0.36) KDM4EALDH1A1EGLN1KMT2AMEN1
SCHEMBL2566342 0.81 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL20538492 0.81 EGLN1 (0.55) ALDH1A1EGLN1KMT2AMEN1SMN1; SMN2
SCHEMBL20538371 0.79 POLB (0.43) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL20538520 0.76 KMT2A (0.38) KDM4EALDH1A1EGLN1KMT2AMEN1
SCHEMBL14812344 0.75 EGLN1 (0.42) KDM4EALDH1A1EGLN1KMT2ALMNA
SCHEMBL14812339 0.75 EGLN1 (0.42) KDM4EALDH1A1EGLN1KMT2ALMNA
SCHEMBL14821260 0.75 EGLN1 (0.42) KDM4EALDH1A1EGLN1KMT2ALMNA
SCHEMBL14809279 0.74 WNT3A (0.44)
SCHEMBL14809241 0.71 EGLN1 (0.50) ALDH1A1EGLN1

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