SCHEMBL21537567

SCHEMBL21537567

c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc(-c7nc8c9ccccc9c9ccccc9c8c8ccccc78)cc6)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
CLK2 P49760 2/20 0.32
HIPK1 Q86Z02 2/20 0.32
HIPK2 Q9H2X6 2/20 0.32
HIPK3 Q9H422 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CLK1 P49759 1/20 0.32
MAP4K1 Q92918 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
DHODH Q02127 1/20 0.32
ACACA Q13085 1/20 0.32
ADORA2A P29274 1/20 0.31
NUDT1 P36639 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL20352624 0.92 PARP1 (0.39) PARP1MAP4K1KDM4EALDH1A1MAPT
SCHEMBL21537409 0.91 PARP1 (0.37) PARP1MAP4K1KDM4EALDH1A1MAPT
SCHEMBL21537460 0.91 PARP1 (0.38) PARP1MAP4K1KDM4EALDH1A1MAPT
SCHEMBL21537825 0.90 PARP1 (0.36) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL21537630 0.90 TOP1 (0.37) PARP1MAP4K1KDM4EALDH1A1MAPT
SCHEMBL21537459 0.85 PARP1 (0.37) PARP1KDM4EALDH1A1HPGDDHODH
SCHEMBL21537568 0.85 PARP1 (0.35) PARP1MAP4K1KDM4EMAPTADORA2A
SCHEMBL21537410 0.84 CYP1A1 (0.39) PARP1ACACAADORA2AMEN1KMT2A
SCHEMBL21537559 0.84 PARP1 (0.34) PARP1DHODHADORA2ANUDT1MEN1
SCHEMBL21537336 0.84 ACACA (0.36) PARP1KDM4EALDH1A1MAPTHPGD

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