SCHEMBL6567329

SCHEMBL6567329

NCCCCCCCCCCc1cccc(C(N)=O)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.41
BID P55957 7/20 0.41
MCL1 Q07820 7/20 0.41
BCL2L1 Q07817 6/20 0.41
BAK1 Q16611 6/20 0.41
PPARA Q07869 3/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 2/20 0.41
SAE1 Q9UBE0 2/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
DHODH Q02127 1/20 0.37
SLC16A3 O15427 1/20 0.36
MMP2 P08253 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL8654727 1.00 HMGB1 (0.41) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL8654374 1.00 HMGB1 (0.41) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL8654089 1.00 HMGB1 (0.41) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL8654059 0.98 HMGB1 (0.42) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL8652707 0.86 HMGB1 (0.54) HMGB1KDM4EMAPTHSD17B10
SCHEMBL2048529 0.86 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL6565413 0.86 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL6567075 0.86 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL1052877 0.86 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL31146780 0.86 BID (0.57) BIDMCL1BCL2L1BAK1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP claimed
EP-0854177-A1 Ink compositions XEROX CORPORATION (US) 1998-07-22 EP claimed
US-5693128-A INK COMPRISED OF COLORANT AND REVERSIBLE CROSSLINKED COMPONENT VEHICLE OBTAINED FROM REACTION PRODUCT OF MONOANHYDRIDE AND POLYAMINE XEROX CORPORATION (US) 1997-12-02 US claimed
EP-0854177-A1 Ink compositions XEROX CORPORATION (US) 1998-07-22 EP disclosed
US-5693128-A INK COMPRISED OF COLORANT AND REVERSIBLE CROSSLINKED COMPONENT VEHICLE OBTAINED FROM REACTION PRODUCT OF MONOANHYDRIDE AND POLYAMINE XEROX CORPORATION (US) 1997-12-02 US disclosed