SCHEMBL5340379

SCHEMBL5340379

COc1ccc(OC)c(-c2nc3c(CBr)cccc3o2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
S1PR4 O95977 1/20 0.38
RECQL P46063 1/20 0.38
ENPP3 O14638 1/20 0.38

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 0.90 F2RL3 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5340563 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5334323 0.81 SYK (0.45) KDM4EALDH1A1MAPTRECQL
SCHEMBL5341017 0.81 F2RL3 (0.39) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5335110 0.74 AGPAT2 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5332439 0.74 SYK (0.42) KDM4EALDH1A1MAPT
SCHEMBL16154038 0.73 F2RL3 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5337672 0.72 PTPN1 (0.43) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL28892178 0.72 ELANE (0.39) KDM4EALDH1A1HPGDCNR2
SCHEMBL14436096 0.71 SYK (0.42) KDM4EALDH1A1MAPT

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