SCHEMBL5341017

SCHEMBL5341017

COCOc1cc(OC)c(OC)cc1-c1nc2c(CBr)cccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.39
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TOP2A P11388 2/20 0.32
SGMS2 Q8NHU3 1/20 0.32

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
SCHEMBL5340643 0.87 F2RL3 (0.38) F2RL3ALDH1A1KDM4EMAPTNPC1
SCHEMBL5337103 0.85 AGPAT2 (0.44) F2RL3ALDH1A1KDM4EMAPTNPC1
SCHEMBL5340379 0.81 KDM4E (0.44) ALDH1A1KDM4EMAPTNPC1HTT
SCHEMBL5339446 0.80 L3MBTL1 (0.49) F2RL3ALDH1A1KDM4EMAPTNPC1
SCHEMBL5337672 0.77 PTPN1 (0.43) F2RL3ALDH1A1KDM4EMAPTNPC1
SCHEMBL16154038 0.72 F2RL3 (0.38) F2RL3ALDH1A1KDM4EMAPTNPC1
SCHEMBL5335110 0.72 AGPAT2 (0.43) F2RL3ALDH1A1KDM4EMAPTNPC1
SCHEMBL6099363 0.72 KDM4E (0.34) F2RL3ALDH1A1KDM4EMAPTHPGD
SCHEMBL5332439 0.71 SYK (0.42) ALDH1A1KDM4EMAPTSGMS2
SCHEMBL16156481 0.70 MAPT (0.51) ALDH1A1KDM4EMAPTNPC1HPGD

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
US-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7105680-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2006-09-12 US disclosed