SCHEMBL8722340

SCHEMBL8722340

Nc1nc(N)c([N+](=O)[O-])c(OC(=O)c2ccc3c(c2)OCO3)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
MAPT P10636 7/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.46
MGMT P16455 4/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
SETD7 Q8WTS6 1/20 0.40
PRMT1 Q99873 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL8722332 0.77 MGMT (0.63) MAPTKMT2AMGMT
SCHEMBL8508213 0.73 NPC1 (0.47) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL13983985 0.70 GAA (0.55) RAB9AMAPTKMT2APOLBGAA
SCHEMBL27451660 0.68 KMT2A (0.68) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11394039 0.67 NPC1 (0.48) RAB9ANPC1MAPTKMT2APOLB
SCHEMBL6858979 0.67 ALDH1A1 (0.67) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL27612725 0.66 CD274 (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4997847 0.66 MEN1 (0.57) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL27599355 0.66 ALDH1A1 (0.61) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11407579 0.65 LMNA (0.43) RAB9ANPC1MAPTKMT2APOLB

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
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