SCHEMBL4354029

SCHEMBL4354029

Fc1cc2c(cc1Br)OCCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
HPGD P15428 1/20 0.33
NOTUM Q6P988 1/20 0.33
KCNH2 Q12809 4/20 0.33
PKM P14618 1/20 0.33
MAOB P27338 1/20 0.32
PRKCI P41743 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL4 Q8NA19 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
SCHEMBL16481376 0.93 SMN1; SMN2 (0.37) SMN1; SMN2CTNNB1WNT3ACLK1DYRK1A
SCHEMBL14576619 0.93 CTNNB1 (0.38) SMN1; SMN2CTNNB1WNT3ACLK1DYRK1A
SCHEMBL18946020 0.84 CTNNB1 (0.41) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL17086606 0.81 NPC1 (0.38) DYRK1ADYRK1BPKMMAOBPRKCI
SCHEMBL17206884 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HPGDKCNH2PKMMAOB
SCHEMBL9966856 0.80 SMN1; SMN2 (0.52) SMN1; SMN2HPGDKCNH2PKMMAOB
SCHEMBL25209057 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CTNNB1WNT3ACLK1DYRK1A
SCHEMBL12316637 0.78 AHR (0.45) SMN1; SMN2CTNNB1WNT3ACLK1DYRK1A
SCHEMBL13954294 0.78 CTNNB1 (0.41) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL30888514 0.78 CTNNB1 (0.38) SMN1; SMN2CTNNB1WNT3ACLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032552-B1 Mesogenic compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2016-02-24 EP disclosed
EP-2032552-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2009-03-11 EP disclosed
WO-2007147516-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2007-12-27 WO disclosed