SCHEMBL19632555

SCHEMBL19632555

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 7/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 5/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
NPY5R Q15761 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL19632554 0.88 KDM4E (0.45) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL21650373 0.84 ALDH1A1 (0.50) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL19632243 0.83 CNR2 (0.39) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL19632552 0.82 KDM4E (0.43) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL19632274 0.82 CNR2 (0.38) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL12629359 0.79 KDM4E (0.53) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL13512747 0.79 CNR2 (0.50) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL1979579 0.75 CNR2 (0.67) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL29849978 0.75 CNR2 (0.67) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL20022363 0.74 CNR2 (0.55) CNR2KDM4ELMNAMAPTHPGD

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