SCHEMBL23280776

SCHEMBL23280776

In1c2ccccc2c2cc(-c3ccc4c5ccccc5n(I)c4c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GPR3 P46089 1/20 0.35
NPY5R Q15761 4/20 0.35
MAPK1 P28482 1/20 0.35
HBB P68871 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 2/20 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
SCHEMBL18436003 0.92 TSPO (0.43) TSPORXRARXRBKDM4EMEN1
SCHEMBL25882895 0.91 TSPO (0.40) TSPORXRARXRBDNM1
SCHEMBL22906840 0.89 RXRA (0.44) TSPORXRARXRBKDM4EL3MBTL1
SCHEMBL22784460 0.89 TSPO (0.48) TSPORXRARXRBKDM4EL3MBTL1
SCHEMBL19417233 0.88 RXRA (0.52) RXRARXRBKDM4EL3MBTL1MAPT
SCHEMBL20842539 0.86 RXRA (0.54) TSPORXRARXRBKDM4EL3MBTL1
SCHEMBL19563163 0.85 GPR3 (0.57) TSPORXRARXRBKDM4EL3MBTL1
SCHEMBL18649891 0.85 TSPO (0.46) TSPORXRARXRBKDM4EL3MBTL1
SCHEMBL24315418 0.84 TSPO (0.42) TSPORXRARXRBKDM4EL3MBTL1
SCHEMBL21129967 0.83 TSPO (0.39) TSPORXRARXRBKDM4EL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287505-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2021-04-28 EP disclosed