SCHEMBL21537559

SCHEMBL21537559

c1ccc(-c2ccc3ccc4ccc(-c5ccc6c7ccc(-c8ccc(-c9nc%10c%11ccccc%11c%11ccccc%11c%10c%10ccccc9%10)cc8)cc7c7ccccc7c6c5)nc4c3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
PTGES O14684 1/20 0.33
DHODH Q02127 2/20 0.32
ALK Q9UM73 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
DHFR P00374 1/20 0.31
ADORA2A P29274 1/20 0.31
NUDT1 P36639 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21757130 0.94 ESR1 (0.34) PARP1PTGESDHODHALKESR1
SCHEMBL21757232 0.94 PARP1 (0.36) PARP1PTGESALKCYP1A1CYP1B1
SCHEMBL21537460 0.92 PARP1 (0.38) PARP1PTGESDHODHADORA2ANUDT1
SCHEMBL20352624 0.91 PARP1 (0.39) PARP1ADORA2ANUDT1MEN1RAB9A
SCHEMBL21537411 0.90 PARP1 (0.38) PARP1PTGESDHODHESR1ESR2
SCHEMBL21537410 0.88 CYP1A1 (0.39) PARP1PTGESALKESR1ESR2
SCHEMBL21537826 0.88 PARP1 (0.35) PARP1ALKESR1ESR2CYP1A1
SCHEMBL21537818 0.87 PARP1 (0.33) PARP1PTGESCYP1A1CYP1B1
SCHEMBL20352753 0.87 PARP1 (0.40) PARP1ADORA2AMEN1RAB9AKMT2A
SCHEMBL20250429 0.87 PARP1 (0.42) PARP1DHODHALKESR1ESR2

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