SCHEMBL3838409

SCHEMBL3838409

Cc1c(Br)c(=O)oc2cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
KDM4E B2RXH2 8/20 0.51
HTT P42858 5/20 0.51
GLA P06280 5/20 0.51
ATM Q13315 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
CASP1 P29466 4/20 0.51
CASP7 P55210 4/20 0.51
HSD17B10 Q99714 4/20 0.51
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 2/20 0.51
USP2 O75604 1/20 0.51
S1PR2 O95136 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL21457065 0.84 CCR4 (0.56) ALDH1A1KDM4EHTTGLAATM
SCHEMBL700677 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHTTGLAATM
SCHEMBL21457006 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EHTTGLAATM
SCHEMBL21456974 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EHTTGLAATM
SCHEMBL3835631 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EGLAATML3MBTL1
SCHEMBL15116253 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHTTL3MBTL1HSD17B10
SCHEMBL8388795 0.75 KDM4E (0.45) ALDH1A1KDM4EHTTGLAATM
SCHEMBL17716551 0.74 SRC (0.57) ALDH1A1KDM4EHTTGLAATM
SCHEMBL2553278 0.74 HSD17B3 (0.75) ALDH1A1KDM4EHTTGLACASP1
SCHEMBL16697876 0.72 KDM4E (0.68) ALDH1A1KDM4EL3MBTL1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709699-B8 CONJUGATED POLYMERS, REPRESENTATION THEREOF, AND USE OF THE SAME MERCK PATENT GMBH (DE) 2009-10-07 EP disclosed
EP-1709699-B1 CONJUGATED POLYMERS, REPRESENTATION THEREOF, AND USE OF THE SAME MERCK PATENT GMBH (DE) 2009-07-01 EP disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
EP-1709699-A1 CONJUGATED POLYMERS, REPRESENTATION THEREOF, AND USE OF THE SAME MERCK PATENT GmbH (DE) 2006-10-11 EP disclosed
WO-2005053054-A1 CONJUGATED POLYMERS, REPRESENTATION THEREOF, AND USE OF THE SAME MERCK PATENT GMBH (DE) 2005-06-09 WO disclosed