SCHEMBL21119633

SCHEMBL21119633

c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6cc7ccc8sc9ccccc9c8c7c7ccccc67)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
DUSP3 P51452 1/20 0.31
BLM P54132 1/20 0.31
PTPN5 P54829 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN11 Q06124 1/20 0.31
MCL1 Q07820 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL21120000 0.90 ACACA (0.35) PARP1MAPTTDP1
SCHEMBL21119991 0.88 CCR1 (0.36) MEN1POLBMAPTDUSP3BLM
SCHEMBL21119901 0.87 KDM4E (0.32) PARP1MAPT
SCHEMBL21119810 0.86 PARP1 (0.34) PARP1MEN1KMT2A
SCHEMBL21120148 0.85 LIMK1 (0.33) PARP1MAPT
SCHEMBL21119629 0.84 PARP1 (0.32) PARP1MAPT
SCHEMBL21119626 0.82 CDK1 (0.41) PARP1MEN1POLBMAPTDUSP3
SCHEMBL21120155 0.82 CDK1 (0.32) PARP1MEN1POLBMAPTDUSP3
SCHEMBL21119630 0.82 LIMK1 (0.32) PARP1MEN1POLBMAPTDUSP3
SCHEMBL21119759 0.81 CCR1 (0.36) MEN1POLBMAPTKMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11522139-B2 Organic light emitting diode LG DISPLAY CO., LTD. (KR) 2022-12-06 US disclosed
US-20190207123-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2019-07-04 US disclosed