SCHEMBL7479136

SCHEMBL7479136

CCCCCCCc1c(N)c(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.34
TXNRD1 Q16881 1/20 0.34
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ATM Q13315 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
TYMP P19971 3/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL27500988 0.79 TLR8 (0.41) MAPTL3MBTL1ATMGAALMNA
SCHEMBL27500002 0.74 POLB (0.35) POLBPKM
SCHEMBL27918603 0.72 ESR1 (0.35) KDM4EALDH1A1KCNH2
SCHEMBL7479139 0.72 POLB (0.38) POLBPKM
SCHEMBL12495463 0.70 TLR8 (0.47) MAPTL3MBTL1ATMGAALMNA
SCHEMBL562804 0.70 ALDH1A1 (0.41) GSRTXNRD1TLR7ALDH1A1KCNH2
SCHEMBL11238635 0.69 KCNH2 (0.38) GSRTXNRD1MAPTALDH1A1KCNH2
SCHEMBL6419045 0.69 TLR8 (0.55) MAPTL3MBTL1ATMGAALMNA
SCHEMBL4986988 0.69 TLR8 (0.55) MAPTL3MBTL1ATMGAALMNA
SCHEMBL11679118 0.69 PDE4A (0.38) GSRTXNRD1MAPTLMNATLR7

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
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP disclosed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO disclosed