SCHEMBL9564984

SCHEMBL9564984

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.31
GAA P10253 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
SCHEMBL9564930 0.81 KDM4E (0.40) KDM4ENPSR1POLBKMT2AMEN1
SCHEMBL9565018 0.81 KDM4E (0.40) KDM4ENPSR1POLBKMT2AMEN1
SCHEMBL4574660 0.66 HCAR2 (0.48) NPSR1KMT2AMEN1HCAR2CYP2C9
SCHEMBL7518054 0.66 HCAR2 (0.39) KDM4EKMT2AMEN1HCAR2CYP2C9
SCHEMBL5477906 0.66 ALDH1A1 (0.40) KMT2AMEN1HCAR2ALDH1A1SMN1; SMN2
SCHEMBL1919221 0.62 HCAR2 (0.39) KMT2AMEN1HCAR2CYP2C9CYP2C19
SCHEMBL1026100 0.62 ALDH1A1 (0.39) KDM4EPOLBKMT2AMEN1HCAR2
SCHEMBL10407464 0.61 MEN1 (0.38) KDM4ENPSR1POLBKMT2AMEN1
SCHEMBL10407399 0.61 MEN1 (0.38) KDM4ENPSR1POLBKMT2AMEN1
SCHEMBL15082052 0.61 EGLN1 (0.42) KDM4ENPSR1HCAR2ALDH1A1SMN1; SMN2

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