SCHEMBL13824699

SCHEMBL13824699

CCCCOc1ncnc2c(CN)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
GALR3 O60755 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CDK1 P06493 3/20 0.44

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
SCHEMBL13767966 0.87 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824795 0.85 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824780 0.85 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824776 0.79 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824639 0.79 PNP (0.51) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13768010 0.77 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824640 0.76 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824846 0.73 HPRT1 (0.45) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824796 0.73 HPRT1 (0.44) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL13824799 0.73 HPRT1 (0.46) 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-2012150866-A1 PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF INDUSTRIAL RESEARCH LIMITED (NZ) 2012-11-08 WO disclosed