SCHEMBL4384740

SCHEMBL4384740

CCCCCNc1nc2nc(C)[nH]c2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.67
GPR84 Q9NQS5 4/20 0.47
POLA1 P09884 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.38
PNP P00491 2/20 0.38
BCHE P06276 1/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC4 Q9UBN4 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL7809880 0.83 XDH (0.61) XDHGPR84POLA1POLBMEN1
SCHEMBL9288448 0.83 XDH (0.60) XDHGPR84PNP
SCHEMBL249649 0.81 XDH (1.00) XDHPOLA1
SCHEMBL8535457 0.80 XDH (1.00) XDHPOLA1
SCHEMBL4384744 0.80 XDH (1.00) XDHPOLA1
Hydrochloric Acid SCHEMBL258899 0.79 XDH (0.97) XDHPOLA1
Hydrochloric Acid SCHEMBL30610398 0.78 XDH (0.95) XDHPOLA1
SCHEMBL6272738 0.76 XDH (1.00) XDHPOLA1
SCHEMBL65614 0.75 GDA (0.40) XDHPNP
Acetic Acid SCHEMBL27671662 0.75 XDH (0.88) XDHGPR84POLA1

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-2009043899-A1 DRUG TRANSFER INTO LIVING CELLS COVALYS BIOSCIENCES AG (CH) 2009-04-09 WO disclosed