SCHEMBL8159669

SCHEMBL8159669

O=c1[nH]c(=O)c2ncn(-n3cc(Br)c(=O)[nH]c3=O)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PNP P00491 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK5 Q16478 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8171998 0.84 PNP (0.35) PNPALDH1A1POLBKMT2A
SCHEMBL2352519 0.83 PNP (0.43) TDP1PNPGAAALDH1A1CYP1A2
SCHEMBL5315626 0.75 PNP (0.38) TDP1PNPALDH1A1CYP1A2CYP2C19
SCHEMBL10947288 0.74 CYP3A4 (0.38) PNPGAAALDH1A1KMT2A
SCHEMBL160199 0.74 GDA (0.37) PNPALDH1A1
SCHEMBL21682417 0.69 KMT2A (0.37) PNPALDH1A1KMT2ASMN1; SMN2
SCHEMBL72147 0.69 XDH (0.50) PNPALDH1A1KMT2ASMN1; SMN2
SCHEMBL9244064 0.68 PNP (0.36) PNPALDH1A1SMN1; SMN2
SCHEMBL27773184 0.68 ADORA2A (0.43)
SCHEMBL28326920 0.67 GDA (0.36) PNP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000061749-A1 CELLULAR PROTEIN P60 THAT INTERACTS WITH HERPESVIRUS REGULATORY PROTEINS ARCH DEVELOPMENT CORPORATION (US) 2000-10-19 WO disclosed