SCHEMBL4646997

SCHEMBL4646997

S=C1N=c2cccnc2=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MMP2 P08253 2/20 0.31
TSHR P16473 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
MMP8 P22894 1/20 0.31
CCR1 P32246 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL260818 0.73 TDP1 (0.37) HTTKDM4EMAPTMMP2TSHR
SCHEMBL27748770 0.73 KDM4E (0.31) HTTKDM4EMAPTMMP2TSHR
SCHEMBL31050548 0.73 KDM4E (0.31) HTTKDM4EMAPTMMP2TSHR
Hydrochloric Acid SCHEMBL26638317 0.71 TDP1 (0.35) HTTKDM4EMAPTMMP2TSHR
Water SCHEMBL27996062 0.69 NPC1 (0.33) MAPTALDH1A1
SCHEMBL27774289 0.69 NPC1 (0.33) MAPTALDH1A1
SCHEMBL3378330 0.67
SCHEMBL10980109 0.65
SCHEMBL2935846 0.63 TDP2 (0.32) TDP1
SCHEMBL4640929 0.62 HTT (0.33) HTTHSD17B10KDM4EMAPTMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124732-A1 METHOD FOR OPTICAL MEASUREMENT OF MULTI-STRANDED NUCLEIC ACID FUJIFILM CORPORATION 2008-05-29 US disclosed
WO-2008036201-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE 1H-IMIDAZO[4,5-B] PYRIDINE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
EP-1889880-A2 Method for optical measurement of multi-stranded nucleic acid FUJIFILM Corporation (JP) 2008-02-20 EP disclosed
EP-1362894-B1 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-20050112770-A1 Method for optical measurement of multi-stranded nucleic acid FUJI PHOTO FILM CO., LTD. 2005-05-26 US disclosed
EP-1362894-A2 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2003-11-19 EP disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed