SCHEMBL7101569

SCHEMBL7101569

Cc1nc(-c2nc(NC3CCCC3)nc(C)c2[N+](=O)[O-])c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GABBR2 O75899 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
BLM P54132 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 3/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL7041989 0.99 KMT2A (0.45) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7046695 0.86 ALDH1A1 (0.34) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7044554 0.86 ALDH1A1 (0.34) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7047413 0.82 PTGS2 (0.37) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7044725 0.76 L3MBTL1 (0.34) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL7101567 0.71 KMT2A (0.41) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7041986 0.71 KMT2A (0.43) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7049035 0.70 GRM5 (0.34) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7043673 0.70 LMNA (0.50) KMT2AMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7645268 0.70 BTK (0.33) KMT2AMEN1MAPTSMN1; SMN2HTT

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-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 WO disclosed