SCHEMBL19632663

SCHEMBL19632663

CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CC3CCCC3)=N\OC(C)=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.37
FFAR1 O14842 1/20 0.37
PTGER4 P35408 8/20 0.37
RORC P51449 2/20 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
SCHEMBL29378382 0.91 KMT2A (0.38) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL21253182 0.91 KMT2A (0.38) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL31650942 0.91 KMT2A (0.38) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL19632436 0.91 KMT2A (0.38) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL16548356 0.91 KMT2A (0.38) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL19632429 0.91 NPC1 (0.38) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL28525765 0.90 NPC1 (0.38) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL18838803 0.90 NPC1 (0.37) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL20464136 0.90 NPC1 (0.38) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL17540424 0.90 KMT2A (0.38) NPC1KDM4EALDH1A1LMNAHPGD

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