SCHEMBL4919637

SCHEMBL4919637

Clc1cccc2cc3cc(C#Cc4ccccc4)c(C#Cc4ccccc4)c(Cl)c3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
APP P05067 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
FFAR1 O14842 1/20 0.32
CHAT P28329 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL536890 0.87 APP (0.38) CYP1A2APPKDM4EMEN1NPC1
SCHEMBL16797165 0.76 APP (0.38) CYP1A2APPKDM4EMEN1NPC1
SCHEMBL29368257 0.74 APP (0.36) CYP1A2APPKDM4EMEN1NPC1
SCHEMBL29365387 0.74 CYP2A6 (0.34) CYP1A2CYP2A6APPKDM4EMEN1
SCHEMBL8079828 0.72 APP (0.40) CYP1A2CYP2A6APPKDM4EMEN1
SCHEMBL29707166 0.70 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HPGDSMN1; SMN2
SCHEMBL6322817 0.70 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HPGDSMN1; SMN2
SCHEMBL9754155 0.69 APP (0.40) CYP1A2APPKDM4EMEN1NPC1
SCHEMBL28392347 0.69 APP (0.52) CYP1A2APPKDM4EMEN1NPC1
SCHEMBL10887254 0.68 DHFR (0.43) CYP1A2APPKDM4EMEN1NPC1

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
CN-109689837-B Chemiluminescent spray product 株式会社乐美加 2021-12-03 CN disclosed
EP-1754767-B1 CHEMILUMINESCENT COMPOSITIONS LUMICA CORP (JP) 2014-06-18 EP disclosed
US-20080246009-A1 Chemiluminescent Compositions LUMICA CORPORATION (JP) 2008-10-09 US disclosed
EP-1754767-A1 CHEMILUMINESCENT COMPOSITIONS Lumica Corporation (JP) 2007-02-21 EP disclosed