SCHEMBL21757074

SCHEMBL21757074

c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7cccc(-c8nc9c%10ccccc%10c%10ccccc%10c9c9ccccc89)c7)cc6c5)nc4c3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
PTGES O14684 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL21537826 0.94 PARP1 (0.35) ESR1ESR2CYP1A1CYP1B1PARP1
SCHEMBL21537411 0.94 PARP1 (0.38) ESR1ESR2PARP1MEN1RAB9A
SCHEMBL20352753 0.94 PARP1 (0.40) PARP1MEN1RAB9AKMT2AADORA2A
SCHEMBL21757232 0.93 PARP1 (0.36) CYP1A1CYP1B1PARP1MEN1RAB9A
SCHEMBL21537410 0.92 CYP1A1 (0.39) ESR1ESR2CYP1A1CYP1B1PARP1
SCHEMBL21537818 0.91 PARP1 (0.33) CYP1A1CYP1B1PARP1HSD17B1HSD17B2
SCHEMBL21537820 0.91 ESR1 (0.39) ESR1ESR2CYP1A1CYP1B1PARP1
SCHEMBL21537824 0.88 PARP1 (0.37) PARP1CYP11B1CYP11B2ADORA2APIM1
SCHEMBL21757130 0.88 ESR1 (0.34) ESR1ESR2CYP1A1CYP1B1PARP1
SCHEMBL21537889 0.87 HSD17B1 (0.35) PARP1MEN1RAB9AKMT2ACYP11B1

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 3 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