SCHEMBL21537460

SCHEMBL21537460

c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc(-c7nc8c9ccccc9c9ccccc9c8c8ccccc78)cc6)cc5)nc4c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 1/20 0.35
NUDT1 P36639 3/20 0.35
ADORA2A P29274 1/20 0.35
DHODH Q02127 4/20 0.34
ATM Q13315 1/20 0.34
PTGES O14684 1/20 0.34
MAP4K1 Q92918 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYMS P04818 1/20 0.32

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 0.98 PARP1 (0.39) PARP1MEN1KMT2ARAB9ANUDT1
SCHEMBL21537559 0.92 PARP1 (0.34) PARP1MEN1KMT2ARAB9ANUDT1
SCHEMBL21537411 0.92 PARP1 (0.38) PARP1MEN1KMT2ARAB9AADORA2A
SCHEMBL21757130 0.91 ESR1 (0.34) PARP1DHODHPTGES
SCHEMBL21757128 0.91 PARP1 (0.33) PARP1NUDT1ADORA2ADHODHPTGES
SCHEMBL21537459 0.91 PARP1 (0.37) PARP1DHODHKDM4EALDH1A1HPGD
SCHEMBL21537568 0.91 PARP1 (0.35) PARP1MEN1KMT2ARAB9ANUDT1
SCHEMBL21537567 0.91 PARP1 (0.35) PARP1MEN1KMT2ARAB9ANUDT1
SCHEMBL21537410 0.90 CYP1A1 (0.39) PARP1MEN1KMT2ARAB9AADORA2A
SCHEMBL20352753 0.89 PARP1 (0.40) PARP1MEN1KMT2ARAB9AADORA2A

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