SCHEMBL20320140

SCHEMBL20320140

O=Cc1ccc(-c2ccccc2N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 6/20 0.39
ALDH1A3 P47895 3/20 0.39
ALDH3A1 P30838 2/20 0.39
CYP2A6 P11509 2/20 0.37
CYP2A13 Q16696 1/20 0.37
PTPRC P08575 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPK1 P28482 3/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL20320139 0.87 DRD1 (0.45) DRD1DRD2DRD4DRD5DRD3
SCHEMBL8577005 0.87 ALDH1A1 (0.43) ALDH1A1CYP2A6PTPRCSLC6A3MAPK1
SCHEMBL15662815 0.82 ALDH1A1 (0.54) ALDH1A1PTPRCSLC6A3MAPK1MAPT
SCHEMBL15662355 0.82 ALDH1A1 (0.54) ALDH1A1PTPRCSLC6A3MAPK1MAPT
SCHEMBL4608172 0.82 ALDH1A1 (0.54) ALDH1A1PTPRCSLC6A3MAPK1MAPT
SCHEMBL16577756 0.82 ALDH1A1 (0.54) ALDH1A1PTPRCSLC6A3MAPK1MAPT
SCHEMBL15525343 0.82 ALDH1A1 (0.46) ALDH1A1CYP2A6PTPRCSLC6A3MAPK1
SCHEMBL3740437 0.82 ALDH1A1 (0.46) ALDH1A1PTPRCSLC6A3MAPK1MEN1
SCHEMBL30825214 0.81 ALDH1A1 (0.52) DRD1ALDH1A1ALDH1A3ALDH3A1CYP2A6
SCHEMBL17700993 0.81 ALDH1A1 (0.52) ALDH1A1PTPRCSLC6A3MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3559078-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-10-25 EP disclosed
US-20220119590-A1 POLYMERS WITH AMINE-GROUP-CONTAINING REPEATING UNITS MERCK PATENT GMBH (DE) 2022-04-21 US disclosed
US-20210277176-A1 FORMULATION CONTAINING A HIGHLY BRANCHED POLYMER, HIGHLY BRANCHED POLYMER AND ELECTRO-OPTICAL DEVICE CONTAINING THIS HIGHLY BRANCHED POLYMER MERCK PATENT GMBH (DE) 2021-09-09 US disclosed
WO-2020011701-A1 FORMULATION CONTAINING A HIGHLY BRANCHED POLYMER, HIGHLY BRANCHED POLYMER AND ELECTRO-OPTICAL DEVICE CONTAINING THIS HIGHLY BRANCHED POLYMER MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed
US-20190322796-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-24 US disclosed
WO-2018114882-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-28 WO disclosed