SCHEMBL21757232

SCHEMBL21757232

c1ccc(-c2ccc3ccc4ccc(-c5ccc6c7ccc(-c8cccc(-c9nc%10c%11ccccc%11c%11ccccc%11c%10c%10ccccc9%10)c8)cc7c7ccccc7c6c5)nc4c3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ALK Q9UM73 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ADORA2A P29274 1/20 0.30
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) PARP1MEN1RAB9AKMT2AALK
SCHEMBL21537559 0.94 PARP1 (0.34) PARP1MEN1RAB9AKMT2AALK
SCHEMBL21537411 0.94 PARP1 (0.38) PARP1MEN1RAB9AKMT2APIM1
SCHEMBL20352753 0.94 PARP1 (0.40) PARP1MEN1RAB9AKMT2APIM1
SCHEMBL21537818 0.93 PARP1 (0.33) PARP1CYP1A1CYP1B1PTGES
SCHEMBL21757074 0.93 ESR1 (0.36) PARP1MEN1RAB9AKMT2ACYP1A1
SCHEMBL21537410 0.90 CYP1A1 (0.39) PARP1MEN1RAB9AKMT2AALK
SCHEMBL21537824 0.88 PARP1 (0.37) PARP1PIM1PIM2ADORA2APDE10A
SCHEMBL21537820 0.88 ESR1 (0.39) PARP1MEN1RAB9AKMT2ACYP1A1
SCHEMBL21757130 0.88 ESR1 (0.34) PARP1ALKCYP1A1CYP1B1PTGES

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