SCHEMBL8507246

SCHEMBL8507246

Nc1nc(N)c([N+](=O)[O-])c(OCc2cccs2)n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGMT P16455 15/20 0.65
CCNA2 P20248 3/20 0.48
CDK2 P24941 3/20 0.48
CCNA1 P78396 3/20 0.48
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3309544 0.79 MGMT (1.00) MGMTCCNA2CDK2CCNA1CDK1
SCHEMBL8722332 0.71 MGMT (0.63) MGMTCCNA2CDK2CCNA1KMT2A
SCHEMBL23093425 0.68 CCR4 (0.39) MGMT
SCHEMBL8808301 0.67 MAPT (0.57) MEN1KMT2ASMN1; SMN2
SCHEMBL4068099 0.67 MGMT (0.76) MGMTCCNA2CDK2CCNA1CDK1
SCHEMBL1154364 0.67 DCPS (0.64)
SCHEMBL8507856 0.66 F9 (0.40) MGMTCCNA2CDK2CCNA1NPC1
SCHEMBL9640554 0.65 MGMT (0.49) MGMTCCNA2CDK2CCNA1PKM
SCHEMBL5039831 0.64 MGMT (0.65) MGMTCCNA2CDK2CCNA1CDK1
SCHEMBL14060443 0.62 MGMT (0.49) MGMTCCNA2CDK2CCNA1

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-5929046-A Pyrimidine and purine derivatives and their use in treating tumour cells CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-07-27 US disclosed
EP-0874848-A1 PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-11-04 EP disclosed
WO-1997020843-A1 PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-06-12 WO disclosed