SCHEMBL21537533

SCHEMBL21537533

c1ccc2c(c1)ccc1c(-c3ccc(-c4ccc5cc(-c6cc7cccnc7c7ncccc67)ccc5c4)cc3)nc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.37
CCR8 P51685 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TOP1 P11387 3/20 0.36
TOP2A P11388 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 2/20 0.34
ERN1 O75460 1/20 0.34
DHODH Q02127 2/20 0.33
LMNA P02545 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL21537322 0.97 CCR1 (0.36) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL21757100 0.95 CCR1 (0.35) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL21537323 0.94 CCR1 (0.36) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL21537659 0.94 TOP1 (0.40) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL21757205 0.94 TOP1 (0.36) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL21537328 0.92 CCR1 (0.39) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL21537545 0.90 ERN1 (0.36) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL20352486 0.90 TOP1 (0.40) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL21757153 0.89 CCR1 (0.38) CCR1CCR8L3MBTL1TOP1TOP2A
SCHEMBL21757118 0.89 CYP11B1 (0.34) TOP1TOP2AALDH1A1CYP3A4MAPT

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 4 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
EP-3561892-A1 ORGANIC LIGHT-EMITTING DEVICE Heesung Material Ltd. (KR) 2019-10-30 EP disclosed