SCHEMBL17199705

SCHEMBL17199705

Brc1ccc2c(c1)C(=Cc1ccc(N(c3ccc(C=C4c5cc(Br)ccc5-c5ccc(Br)cc54)cc3)c3ccc(C=C4c5cc(Br)ccc5-c5ccc(Br)cc54)cc3)cc1)c1cc(Br)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
S100A4 P26447 1/20 0.39
APP P05067 2/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
PLK4 O00444 1/20 0.35
PTPRC P08575 1/20 0.35
POLB P06746 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
RAB9A P51151 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL17199706 0.94 PTPRC (0.39) LCKS100A4APPKMT2AMEN1
SCHEMBL17199710 0.92 MAPT (0.42) LCKS100A4APPKMT2AMEN1
SCHEMBL12890209 0.92 MAPT (0.42) LCKS100A4APPKMT2AMEN1
SCHEMBL17199708 0.89 S100A4 (0.48) LCKS100A4APPKMT2AMEN1
SCHEMBL3814228 0.86 APP (0.51) APPKMT2AMEN1MAOAMAOB
SCHEMBL1242523 0.85 ALDH1A1 (0.49) KMT2AMEN1POLBMAOBRAB9A
SCHEMBL17199698 0.85 PIM1 (0.44) LCKAPPKMT2AMEN1MAOA
SCHEMBL17205037 0.81 PTPRC (0.35) LCKKMT2AMEN1PTPRCCYP19A1
SCHEMBL17199713 0.81 LCK (0.50) LCKS100A4APPKMT2AMEN1
SCHEMBL1242518 0.79 PTPRC (0.47) LCKS100A4APPKMT2AMEN1

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
WO-2015161989-A1 HOLE-TRANSPORT MATERIALS FOR ORGANIC SOLAR CELLS OR ORGANIC OPTICAL SENSORS BASF SE (DE) 2015-10-29 WO disclosed
WO-2015161989-A1 HOLE-TRANSPORT MATERIALS FOR ORGANIC SOLAR CELLS OR ORGANIC OPTICAL SENSORS BASF SE (DE) 2015-10-29 WO disclosed
EP-2937399-A1 Hole-transport materials for organic solar cells or organic optical sensors BASF SE (DE) 2015-10-28 EP disclosed
EP-2937399-A1 Hole-transport materials for organic solar cells or organic optical sensors BASF SE (DE) 2015-10-28 EP disclosed