SCHEMBL5334048

SCHEMBL5334048

COCOc1ccc(OC)cc1-c1nc2c(CNCc3ccccn3)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SYK P43405 2/20 0.42
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALOX15 P16050 2/20 0.38
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
HTT P42858 1/20 0.37
SMARCA2 P51531 1/20 0.37

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
SCHEMBL5339446 0.89 L3MBTL1 (0.49) KDM4EL3MBTL1HPGDSMN1; SMN2KMT2A
SCHEMBL5332563 0.86 KDM4E (0.45) KDM4EL3MBTL1SYKHPGDSMN1; SMN2
SCHEMBL5332439 0.86 SYK (0.42) KDM4ESYKALDH1A1MAPTSGMS2
SCHEMBL14436096 0.85 SYK (0.42) KDM4ESYKALDH1A1GAAMAPT
SCHEMBL5340643 0.81 F2RL3 (0.38) KDM4ESYKHPGDSMN1; SMN2KMT2A
SCHEMBL5334625 0.81 L3MBTL1 (0.52) KDM4EL3MBTL1HPGDSMN1; SMN2KMT2A
SCHEMBL30414713 0.81 L3MBTL1 (0.52) KDM4EL3MBTL1HPGDSMN1; SMN2KMT2A
SCHEMBL5334323 0.78 SYK (0.45) KDM4ESYKALDH1A1MAPT
SCHEMBL5335110 0.78 AGPAT2 (0.43) KDM4EHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL14436660 0.75 L3MBTL1 (0.57) KDM4EL3MBTL1HPGDSMN1; SMN2KMT2A

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 2 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-7105680-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2006-09-12 US disclosed