SCHEMBL1123369

SCHEMBL1123369

CCCCCCCCCCCCCCCc1nc(N)[nH]c(=O)c1CCCCCCCCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
TYMP P19971 3/20 0.47
DHFR P00374 1/20 0.46
PNP P00491 1/20 0.46
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
XBP1 P17861 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL30064990 0.85 KMT2A (0.67) ALDH1A1KMT2AMEN1GAATYMP
SCHEMBL8673158 0.77 HIF1A (0.49) ALDH1A1KMT2AMEN1GAAPNP
SCHEMBL22372499 0.75 KMT2A (0.47) ALDH1A1KMT2AMEN1GAATYMP
SCHEMBL1123622 0.74 KMT2A (0.46) ALDH1A1KMT2AMEN1GAATYMP
SCHEMBL6121227 0.74 KMT2A (0.46) ALDH1A1KMT2AMEN1GAATYMP
SCHEMBL8670123 0.74 HIF1A (0.49) ALDH1A1KMT2AMEN1GAADHFR
SCHEMBL6272296 0.71 PNP (0.54) DHFRPNPGPR84
SCHEMBL8536005 0.71 PNP (0.54) DHFRPNPGPR84
SCHEMBL7777164 0.71 PNP (0.54) DHFRPNPGPR84
SCHEMBL5138373 0.70 KCNH2 (0.43) ALDH1A1KMT2AMEN1TYMPDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985672-B1 Phase Change Ink Compositions XEROX CORP (US) 2011-02-09 EP disclosed
US-7811370-B2 Phase change ink compositions XEROX CORPORATION (US) 2010-10-12 US disclosed
US-20080264288-A1 Phase change ink compositions XEROX CORPORATION. 2008-10-30 US disclosed
EP-1985672-A1 Phase Change Ink Compositions Xerox Corporation (US) 2008-10-29 EP disclosed
US-7384463-B2 Phase change ink containing amphiphilic molecule XEROX CORPORATION (US) 2008-06-10 US disclosed
US-20080100684-A1 PHASE CHANGE INK CONTAINING AMPHIPHILIC MOLECULE XEROX CORPORATION (US) 2008-05-01 US disclosed