SCHEMBL21537409

SCHEMBL21537409

c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7c7ccccc67)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAP4K1 Q92918 1/20 0.32
MAPT P10636 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TYMS P04818 1/20 0.31
MKNK2 Q9HBH9 1/20 0.30
AR P10275 1/20 0.30
IGF1R P08069 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21537567 0.91 PARP1 (0.35) PARP1MEN1RAB9AKMT2AKDM4E
SCHEMBL21537825 0.89 PARP1 (0.36) PARP1MEN1RAB9AKMT2AKDM4E
SCHEMBL20352624 0.87 PARP1 (0.39) PARP1MEN1RAB9AKMT2AKDM4E
SCHEMBL21537460 0.86 PARP1 (0.38) PARP1MEN1RAB9AKMT2AKDM4E
SCHEMBL21537630 0.84 TOP1 (0.37) PARP1KDM4EALDH1A1HPGDMAP4K1
SCHEMBL10032332 0.83 PARP1 (0.47) PARP1MEN1RAB9AKMT2AKDM4E
SCHEMBL20352753 0.83 PARP1 (0.40) PARP1MEN1RAB9AKMT2AKDM4E
SCHEMBL20352782 0.82 PARP1 (0.36) PARP1MEN1RAB9AKMT2AKDM4E
SCHEMBL21537410 0.82 CYP1A1 (0.39) PARP1MEN1RAB9AKMT2ACYP1A2
SCHEMBL21537823 0.82 TOP1 (0.36) PARP1KDM4EMAPTPIM1PIM2

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