SCHEMBL5339446

SCHEMBL5339446

COCOc1cc(OC)c(OC)cc1-c1nc2c(CNCc3ccccn3)cccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTT P42858 1/20 0.40
SMARCA2 P51531 1/20 0.40
PKM P14618 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL5334048 0.89 KDM4E (0.45) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5334625 0.88 L3MBTL1 (0.52) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL30414713 0.88 L3MBTL1 (0.52) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5341017 0.80 F2RL3 (0.39) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL5332563 0.79 KDM4E (0.45) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL6099363 0.78 KDM4E (0.34) KDM4EKMT2AMEN1ALDH1A1ALOX15
SCHEMBL5337103 0.77 AGPAT2 (0.44) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL14436660 0.76 L3MBTL1 (0.57) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5332439 0.75 SYK (0.42) KDM4EALDH1A1MAPT
SCHEMBL14436096 0.74 SYK (0.42) KDM4EALDH1A1GAAMAPT

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