SCHEMBL13768010

SCHEMBL13768010

CCCCOc1ncnc2c(C=O)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
GALR3 O60755 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP3K7 O43318 3/20 0.40

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
SCHEMBL13691931 0.81 PDPK1 (0.44) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL13824699 0.77 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13767966 0.76 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL4007677 0.76 CDC7 (0.52) SMN1; SMN2ALDH1A1HTTTSHRMAPK1
SCHEMBL13824780 0.74 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824795 0.74 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824797 0.74 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824639 0.72 PNP (0.51) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824776 0.72 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824640 0.71 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012150866-A1 PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF INDUSTRIAL RESEARCH LIMITED (NZ) 2012-11-08 WO disclosed
WO-2009082247-A1 PROCESS FOR PREPARING IMMUCILLINS HAVING A METHYLENE LINK INDUSTRIAL RESEARCH LIMITED (NZ) 2009-07-02 WO disclosed