SCHEMBL21757044

SCHEMBL21757044

c1cc(-c2ccc3c(ccc4cc(-c5ccnc6c5ccc5cccnc56)ccc43)c2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.36
TOP2A P11388 1/20 0.35
TOP1 P11387 4/20 0.35
PIK3CD O00329 1/20 0.34
CYP3A4 P08684 2/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PIK3CA P42336 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21537449 0.98 ERN1 (0.37) ERN1CCR1CCR5CCR8L3MBTL1
SCHEMBL21537790 0.97 CCR1 (0.37) ERN1CCR1CCR5CCR8L3MBTL1
SCHEMBL21537450 0.94 CCR1 (0.36) ERN1CCR1CCR5CCR8L3MBTL1
SCHEMBL21757153 0.94 CCR1 (0.38) ERN1CCR1CCR5CCR8L3MBTL1
SCHEMBL20352304 0.94 PIK3CA (0.39) CCR1CCR5CCR8L3MBTL1BRD4
SCHEMBL21537545 0.93 ERN1 (0.36) ERN1CCR1CCR8L3MBTL1TOP2A
SCHEMBL21757047 0.93 CCR1 (0.39) ERN1CCR1CCR5CCR8L3MBTL1
SCHEMBL21537332 0.92 CCR1 (0.36) ERN1CCR1CCR5CCR8L3MBTL1
SCHEMBL21537544 0.91 ERN1 (0.35) ERN1CCR1CCR8L3MBTL1TOP2A
SCHEMBL21537328 0.91 CCR1 (0.39) ERN1CCR1CCR5CCR8L3MBTL1

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
EP-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed
US-11302873-B2 Organic light-emitting device LT MATERIALS CO, LTD. (KR) 2022-04-12 US disclosed
US-20200066996-A1 ORGANIC LIGHT-EMITTING DEVICE HEESUNG MATERIAL LTD. (KR) 2020-02-27 US disclosed