SCHEMBL6474039

SCHEMBL6474039

Oc1cc(OCCCCOc2ccc(-n3nc4ccccc4n3)c(O)c2)ccc1-n1nc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 4/20 0.40
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 2/20 0.36
MAOB P27338 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
SCHEMBL8854056 0.98 NPC1 (0.44) NPC1RAB9ALMNAKDM4ECYSLTR2
SCHEMBL29463600 0.93 GPBAR1 (0.46) NPC1RAB9ALMNAKDM4ECYSLTR2
SCHEMBL7141357 0.93 GPBAR1 (0.46) NPC1RAB9ALMNAKDM4ECYSLTR2
SCHEMBL13370102 0.92 NR5A1 (0.50) NPC1RAB9ALMNAKDM4ECYSLTR2
SCHEMBL45837 0.92 NR5A1 (0.50) NPC1RAB9ALMNAKDM4ECYSLTR2
SCHEMBL5445426 0.92 NR5A1 (0.50) NPC1RAB9ALMNAKDM4ECYSLTR2
SCHEMBL9744615 0.92 NR5A1 (0.50) NPC1RAB9ALMNAKDM4ECYSLTR2
SCHEMBL508086 0.92 NPC1 (0.41) NPC1RAB9ALMNAKDM4ECYSLTR2
SCHEMBL8913712 0.91 NPC1 (0.43) NPC1RAB9ALMNAKDM4EFGFR1
SCHEMBL21145629 0.90 NPC1 (0.46) NPC1RAB9ALMNAKDM4ECYSLTR2

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
JP-10140475-A None JP disclosed
US-6962949-B2 Ink compositions containing quaternary-substituted lightfastness agents XEROX CORPORATION (US) 2005-11-08 US disclosed
US-20030119939-A1 Ink compositions containing quaternary-substituted lightfastness agents XEROX CORPORATION 2003-06-26 US disclosed
JP-H10140475-A TREATING AGENT FOR TEXTILE PRODUCT AND TREATMENT OF TEXTILE PRODUCT NIKKA CHEM CO LTD 1998-05-26 JP disclosed