SCHEMBL9564930

SCHEMBL9564930

Cc1nc2nc(C(=O)O)c(C)c(O)n2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 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
SCHEMBL9565018 0.82 KDM4E (0.40) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL9564984 0.81 KDM4E (0.39) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL5200214 0.75 NPSR1 (0.41) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL20065121 0.68 KMT2A (0.43) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL5477906 0.67 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL10407464 0.66 MEN1 (0.38) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL10407399 0.66 MEN1 (0.38) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL18305810 0.65 ALDH1A1 (0.39) KDM4ENPSR1ALDH1A1SMN1; SMN2
SCHEMBL2743303 0.65 EGLN1 (0.37) KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL15082052 0.62 EGLN1 (0.42) KDM4ENPSR1ALDH1A1SMN1; SMN2L3MBTL1

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-0544166-A2 Cephalosporinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed