SCHEMBL1123622

SCHEMBL1123622

CCCCCCCCCCCCCCCc1c(CCCCCCCCCCCCCC)[nH]c(N)nc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
TYMP P19971 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
DHFR P00374 1/20 0.40
PNP P00491 1/20 0.40
GPR84 Q9NQS5 5/20 0.40
BACE1 P56817 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37

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
SCHEMBL6121227 1.00 KMT2A (0.46) KMT2AALDH1A1MEN1GAATYMP
SCHEMBL22372499 0.85 KMT2A (0.47) KMT2AALDH1A1MEN1GAATYMP
SCHEMBL30064990 0.79 KMT2A (0.67) KMT2AALDH1A1MEN1GAATYMP
SCHEMBL1123369 0.74 ALDH1A1 (0.52) KMT2AALDH1A1MEN1GAATYMP
SCHEMBL8673156 0.74 HIF1A (0.35) ALDH1A1SMN1; SMN2PNPBACE1MAPT
SCHEMBL8670120 0.74 TYMS (0.39) SMN1; SMN2DHFRPNPBACE1
SCHEMBL891089 0.72 TYMP (0.46) ALDH1A1TYMPGPR84MAPTHSD17B10
SCHEMBL2360239 0.70 TYMP (0.44) ALDH1A1TYMPGPR84MAPTHSD17B10
SCHEMBL28909335 0.70 TYMP (0.44) KMT2AALDH1A1GAATYMPGPR84
SCHEMBL28460640 0.70 HSD17B10 (0.42) KMT2AALDH1A1MEN1GAASMN1; SMN2

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 4 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