SCHEMBL18436003

SCHEMBL18436003

In1c2ccc(-c3ccccc3)cc2c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccc(-c7ccc8c9ccccc9n(I)c8c7)cc5n6I)c4)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.43
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
DNM1 Q05193 2/20 0.37
MAOB P27338 1/20 0.35
NPY5R Q15761 1/20 0.35
NR4A2 P43354 2/20 0.34
LIMK1 P53667 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
KMT2A Q03164 1/20 0.33
SERPINE1 P05121 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G4A P47712 1/20 0.33
LDHA P00338 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
SCHEMBL18649891 0.95 TSPO (0.46) TSPORXRARXRBDNM1NPY5R
SCHEMBL25882895 0.93 TSPO (0.40) TSPORXRARXRBDNM1MAOB
SCHEMBL22906840 0.92 RXRA (0.44) TSPORXRARXRBDNM1MAOB
SCHEMBL22784460 0.92 TSPO (0.48) TSPORXRARXRBDNM1NPY5R
SCHEMBL23280776 0.92 TSPO (0.38) TSPORXRARXRBDNM1NPY5R
SCHEMBL20842539 0.88 RXRA (0.54) TSPORXRARXRBMAOBNPY5R
SCHEMBL19558980 0.86 TSPO (0.41) TSPOMAOBNR4A2KDM4EMEN1
SCHEMBL21129967 0.86 TSPO (0.39) TSPORXRARXRBMAOBNPY5R
SCHEMBL20385098 0.82 TSPO (0.38) TSPODNM1NPY5RKDM4EMEN1
SCHEMBL20005868 0.81 L3MBTL1 (0.58) TSPORXRARXRBDNM1KDM4E

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-3124488-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-02-01 EP disclosed