SCHEMBL6099291

SCHEMBL6099291

COc1cc(O)c(-c2nc3c(Cc4ccccn4)c(CN)ccc3o2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
NPC1 O15118 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
PGK1 P00558 1/20 0.33
CHRNA7 P36544 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL6099363 0.88 KDM4E (0.34) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL30414713 0.76 L3MBTL1 (0.52) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL5334625 0.76 L3MBTL1 (0.52) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL3312778 0.67 HRH1 (0.52) ALDH1A1MAPTALOX15MBOAT4TDP1
SCHEMBL5339851 0.65 KDM4E (0.39) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL5332563 0.65 KDM4E (0.45) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL5339446 0.65 L3MBTL1 (0.49) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL16156465 0.64 KDM4E (0.43) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL5832250 0.64 NPC1 (0.62) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL3310900 0.63 HRH1 (0.50) ALDH1A1MAPTALOX15MBOAT4TDP1

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

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