SCHEMBL6308798

SCHEMBL6308798

COC(=O)CCc1ccc(Nc2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SIRT2 Q8IXJ6 2/20 0.47
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 1/20 0.38
PTPRC P08575 2/20 0.38
PTPN13 Q12923 2/20 0.38
PTPN1 P18031 2/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
FFAR1 O14842 1/20 0.37
MAPK14 Q16539 1/20 0.36
VDR P11473 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
SCHEMBL6308956 0.79 SIRT2 (0.49) SIRT2IDO1PTPN1FFAR1MAPK14
SCHEMBL21811871 0.77 PNMT (0.53) RAB9ANPC1KDM4EMAPK1PTPRC
SCHEMBL6313869 0.77 SIRT2 (0.47) SIRT2PTPN1FFAR1
SCHEMBL6314923 0.77 CYP1A2 (0.58) RAB9ASIRT2KDM4ECYP1A2
SCHEMBL7389628 0.76 SIRT2 (0.54) RAB9ASIRT2KDM4EIDO1CYP1A2
SCHEMBL8012168 0.76 RAB9A (0.59) RAB9ANPC1KDM4EMAPK1PTPRC
SCHEMBL6306320 0.76 GPR88 (0.41) RAB9ANPC1SIRT2PTPN1FFAR1
SCHEMBL15056195 0.75 SIRT2 (0.59) SIRT2EPHX2KDM4EIDO1
SCHEMBL2776004 0.75 TDP1 (0.51) RAB9ASIRT2EPHX2MAPK1IDO1
SCHEMBL68635 0.75 NPC1 (0.55) RAB9ANPC1KDM4EMAPK1CYP1A2

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
CN-100334128-C Charge transfer polymer FUJI XERON CO LTD (JP) 2007-08-29 CN disclosed
US-6936679-B2 Charge-transporting polymer FUJI XEROX CO., LTD. (JP) 2005-08-30 US disclosed
US-20030207187-A1 Charge-transporting polymer FUJI XEROX CO., LTD. (JP) 2003-11-06 US disclosed
CN-1445258-A Charge transfer polymer FUJI XERON CO LTD (JP) 2003-10-01 CN disclosed