SCHEMBL7101567

SCHEMBL7101567

Cc1nc(NC2CCCC2)nc(C2(C)N=CC=N2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.41
MEN1 O00255 8/20 0.41
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
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
BLM P54132 3/20 0.38

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
SCHEMBL7041986 0.99 KMT2A (0.43) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL7047410 0.82 VCP (0.35) KMT2AMEN1TDP1MAPTSMN1; SMN2
SCHEMBL7046808 0.72 ATM (0.34) KMT2AMEN1TDP1MAPTLMNA
SCHEMBL7101569 0.71 KMT2A (0.43) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL7041989 0.71 KMT2A (0.45) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL7043665 0.70 LMNA (0.50) KMT2AMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL6697459 0.69 KMT2A (0.39) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL7045358 0.69 PPIA (0.41) TDP1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL6698332 0.68 KMT2A (0.40) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL7044715 0.66 LMNA (0.33) KMT2AMEN1CYP1A2TDP1MAPT

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