SCHEMBL5805331

SCHEMBL5805331

CC(C)(C)c1ccc(O)c(-n2nc3c(Br)ccc(Br)c3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX12 P18054 1/20 0.37
CYP2D6 P10635 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL3529911 0.79 HSP90AA1 (0.38) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29354646 0.78 NPC1 (0.64) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL78159 0.78 NPC1 (0.64) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL10669013 0.76 NPC1 (0.45) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29814292 0.72 NPC1 (0.46) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL30887107 0.72 MEN1 (0.57) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL3381528 0.72 MEN1 (0.57) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL351147 0.72 NPC1 (0.46) ALDH1A1ALOX15HPGDHSD17B10TDP1
Drometrizole SCHEMBL10809817 0.72 NPC1 (0.78) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL27481690 0.72 NPC1 (0.46) ALDH1A1ALOX15HPGDHSD17B10TDP1

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
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 WO disclosed