SCHEMBL13767966

SCHEMBL13767966

CCCCOc1ncnc2c(CO)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 3/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
GALR3 O60755 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CDK1 P06493 2/20 0.43

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
SCHEMBL13824699 0.87 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824639 0.83 PNP (0.51) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824795 0.83 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824780 0.83 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824776 0.78 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824953 0.77 MTAP (0.46) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13768010 0.76 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL4005557 0.75 CDC7 (0.53) ALDH1A1HTTTSHRMAPK1HPGD
SCHEMBL13824796 0.75 HPRT1 (0.44) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824640 0.75 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1HTTTSHR

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
WO-2009082247-A1 PROCESS FOR PREPARING IMMUCILLINS HAVING A METHYLENE LINK INDUSTRIAL RESEARCH LIMITED (NZ) 2009-07-02 WO disclosed