SCHEMBL8535455

SCHEMBL8535455

CCCCCCCCCCNc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.67
GPR84 Q9NQS5 11/20 0.51
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RIPK1 Q13546 2/20 0.39
BCHE P06276 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC4 Q9UBN4 1/20 0.39
TRPC5 Q9UL62 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
SCHEMBL249648 0.99 XDH (0.66) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL2623143 0.94 XDH (0.65) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL26174316 0.89 XDH (0.53) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL16205209 0.86 XDH (0.50) XDHGPR84KDM4EALDH1A1
SCHEMBL10047127 0.85 XDH (0.51) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL5062459 0.83 XDH (0.46) XDHKDM4EALDH1A1
SCHEMBL23133118 0.83 XDH (0.48) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL1965514 0.82 XDH (0.47) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL10047126 0.82 XDH (0.50) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL21183279 0.80 XDH (0.44) XDHKDM4EALDH1A1

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-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed