SCHEMBL9565018

SCHEMBL9565018

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.30
PDE10A Q9Y233 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 0.82 KDM4E (0.40) KDM4ENPSR1POLBALDH1A1L3MBTL1
SCHEMBL9564984 0.81 KDM4E (0.39) KDM4ENPSR1POLBALDH1A1L3MBTL1
SCHEMBL9564745 0.77 KDM4E (0.35) KDM4EALDH1A1PKM
SCHEMBL10407044 0.70 MEN1 (0.49) KDM4ENPSR1ALDH1A1LMNATP53
SCHEMBL10407399 0.69 MEN1 (0.38) KDM4ENPSR1POLBALDH1A1L3MBTL1
SCHEMBL5477906 0.67 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL10407464 0.62 MEN1 (0.38) KDM4ENPSR1POLBALDH1A1L3MBTL1
SCHEMBL15082052 0.62 EGLN1 (0.42) KDM4ENPSR1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1158337 0.62 TDP1 (0.34) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10772488 0.62 HCAR2 (0.34) ALDH1A1SMN1; 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