SCHEMBL19632274

SCHEMBL19632274

CCn1c2ccc(C(=O)c3ccsc3)cc2c2cc(/C(CCC3CCCC3)=N\OC(=O)c3ccccc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
PTGER4 P35408 5/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 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
SCHEMBL19632243 0.92 CNR2 (0.39) CNR2PTGER4KDM4ELMNAMAPT
SCHEMBL24034833 0.90 KDM4E (0.38) CNR2PTGER4KDM4ELMNAMAPT
SCHEMBL19632206 0.90 KDM4E (0.38) CNR2PTGER4KDM4ELMNAMAPT
SCHEMBL17540420 0.88 NPC1 (0.46) CNR2PTGER4KDM4ELMNAMAPT
SCHEMBL17540422 0.87 NPC1 (0.37) PTGER4LMNAMAPTNPC1KMT2A
SCHEMBL29874784 0.85 PTGER4 (0.38) CNR2PTGER4KDM4ELMNANPC1
SCHEMBL28881747 0.85 PTGER4 (0.38) CNR2PTGER4KDM4ELMNANPC1
SCHEMBL19632430 0.85 PTGER4 (0.38) CNR2PTGER4KDM4ELMNANPC1
SCHEMBL19439766 0.84 CNR2 (0.42) CNR2PTGER4KDM4ELMNAMAPT
SCHEMBL19632555 0.82 CNR2 (0.44) CNR2PTGER4KDM4ELMNAMAPT

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
US-20200255736-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-08-13 US disclosed
EP-3458548-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-01-29 EP disclosed
WO-2017198584-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2017-11-23 WO disclosed