SCHEMBL9288451

SCHEMBL9288451

CCCCCNc1nc2c(=O)[nH]c(N)nc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.47
GPR84 Q9NQS5 6/20 0.47
PNP P00491 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RIPK1 Q13546 2/20 0.38
BCHE P06276 1/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC4 Q9UBN4 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
DHFR P00374 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL9288448 0.80 XDH (0.60) XDHGPR84PNP
SCHEMBL10875892 0.77 PNP (0.47) GPR84PNPKDM4EALDH1A1LMNA
SCHEMBL249648 0.73 XDH (0.66) XDHGPR84KDM4EALDH1A1LMNA
SCHEMBL912731 0.73 KDM4E (0.51) PNPKDM4EALDH1A1LMNAGLA
SCHEMBL8535455 0.72 XDH (0.67) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL4128821 0.71 XDH (0.56) XDHGPR84BCHETRPC3TRPC4
SCHEMBL28174099 0.70 XDH (0.62) XDHGPR84KDM4EALDH1A1LMNA
SCHEMBL5062385 0.70 ALDH1A1 (0.49) PNPKDM4EALDH1A1LMNAGLA
8-Aminoguanine SCHEMBL21760 0.70 KDM4E (0.60) PNPKDM4EALDH1A1LMNAGLA
SCHEMBL7699028 0.69 GPR84 (0.54) XDHGPR84BCHETRPC3TRPC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476659-A Killing; particularly lymphocytic leukemia THE SCRIPPS RESEARCH INSTITUTE (US) 1995-12-19 US disclosed
WO-1994011003-A1 CANCEROUS B CELL TREATMENT USING SUBSTITUTED NUCLEOSIDE DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 1994-05-26 WO disclosed
US-4746651-A ANTIBIOTIC AND ALDOGYCOSIDYL-GUANINE OR ISOXANTHOPTERIN IMMUNE RESPONSE-ENHANCING AGENT SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-05-24 US disclosed