SCHEMBL19632552

SCHEMBL19632552

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
CNR2 P34972 1/20 0.41
MAPT P10636 3/20 0.40
PTGER4 P35408 3/20 0.38
TP53 P04637 1/20 0.37
NPY5R Q15761 1/20 0.37
MAPK1 P28482 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
SCHEMBL12629353 0.90 MAPT (0.47) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL3209043 0.90 MAPT (0.47) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL29824485 0.90 MAPT (0.47) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL19632388 0.90 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL24394482 0.88 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL17856964 0.88 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL17856963 0.84 ALDH1A1 (0.39) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL17856967 0.84 ALDH1A1 (0.39) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL24494726 0.84 ALDH1A1 (0.57) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL12890576 0.84 KMT2A (0.40) KDM4EALDH1A1LMNAHPGDKMT2A

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