SCHEMBL5497772

SCHEMBL5497772

Brc1ccc2c(c1I)Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PGR P06401 1/20 0.37
MAOA P21397 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
HTR7 P34969 2/20 0.36
HTR2B P41595 2/20 0.36
SRD5A2 P31213 1/20 0.35
CES1 P23141 2/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL29577684 1.00 PNMT (0.43) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL28781719 0.85 PNMT (0.38) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL29453593 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL784717 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7930923 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL5497779 0.78 PNMT (0.43) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6018186 0.78 PNMT (0.43) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL18243593 0.78 PNMT (0.43) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL22263591 0.77 PNMT (0.57) PNMTNPC1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3206313 0.76 PNMT (0.42) PNMTNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed