SCHEMBL19632430

SCHEMBL19632430

CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCC3CCCC3)=N\OC(=O)c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.38
KMT2A Q03164 5/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
RAB9A P51151 3/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL28881747 1.00 PTGER4 (0.38) PTGER4KMT2ANPC1L3MBTL1FFAR1
SCHEMBL29874784 1.00 PTGER4 (0.38) PTGER4KMT2ANPC1L3MBTL1FFAR1
SCHEMBL16548356 0.92 KMT2A (0.38) PTGER4KMT2ANPC1L3MBTL1FFAR1
SCHEMBL19632429 0.92 NPC1 (0.38) PTGER4KMT2ANPC1FFAR1ALDH1A1
SCHEMBL21253182 0.92 KMT2A (0.38) PTGER4KMT2ANPC1L3MBTL1FFAR1
SCHEMBL31650942 0.92 KMT2A (0.38) PTGER4KMT2ANPC1L3MBTL1FFAR1
SCHEMBL19632436 0.92 KMT2A (0.38) PTGER4KMT2ANPC1L3MBTL1FFAR1
SCHEMBL29378382 0.92 KMT2A (0.38) PTGER4KMT2ANPC1L3MBTL1FFAR1
SCHEMBL17540424 0.90 KMT2A (0.38) PTGER4KMT2ANPC1FFAR1ALDH1A1
SCHEMBL17540420 0.88 NPC1 (0.46) PTGER4KMT2ANPC1L3MBTL1ALDH1A1

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