SCHEMBL21757205

SCHEMBL21757205

c1cc(-c2ccc3cc(-c4cc5cccnc5c5ncccc45)ccc3c2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.36
CCR1 P32246 2/20 0.36
CCR8 P51685 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.36
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TOP2A P11388 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE4A P27815 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
LMNA P02545 1/20 0.34
NPY1R P25929 1/20 0.34

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
SCHEMBL21537545 0.97 ERN1 (0.36) TOP1CCR1CCR8L3MBTL1PIK3CD
SCHEMBL21537544 0.95 ERN1 (0.35) TOP1CCR1CCR8L3MBTL1PIK3CD
SCHEMBL21537617 0.95 TOP1 (0.36) TOP1CCR1CCR8L3MBTL1PIK3CD
SCHEMBL20352486 0.95 TOP1 (0.40) TOP1CCR1CCR8L3MBTL1PIK3CD
SCHEMBL21537533 0.94 CCR1 (0.37) TOP1CCR1CCR8L3MBTL1ERN1
SCHEMBL21537790 0.93 CCR1 (0.37) TOP1CCR1CCR8L3MBTL1PIK3CD
SCHEMBL25655814 0.93 ALDH1A1 (0.37) TOP1CCR1CCR8L3MBTL1PIK3CD
SCHEMBL21757204 0.90 TOP1 (0.37) TOP1CCR1CCR8L3MBTL1PIK3CD
SCHEMBL21537322 0.90 CCR1 (0.36) TOP1CCR1CCR8L3MBTL1ERN1
SCHEMBL21757206 0.90 ALDH1A1 (0.38) TOP1CCR1CCR8L3MBTL1PIK3CD

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