SCHEMBL21119901

SCHEMBL21119901

c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cc7ccc8sc9ccccc9c8c7c7ccccc67)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
PARP1 P09874 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.30
LIMK1 P53667 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL21119810 0.97 PARP1 (0.34) KDM4EPARP1MAOBLIMK1
SCHEMBL21119629 0.96 PARP1 (0.32) KDM4EPARP1ALDH1A1MAPTHPGD
SCHEMBL21120000 0.91 ACACA (0.35) KDM4EPARP1LIMK1ALDH1A1MAPT
SCHEMBL21119633 0.87 PARP1 (0.32) PARP1MAPT
SCHEMBL21119922 0.87 CCR1 (0.36) KDM4EALDH1A1MAPT
SCHEMBL21119607 0.85 LIMK1 (0.34) PARP1MAOBLIMK1MAPT
SCHEMBL21119975 0.84 CCR1 (0.34) KDM4EALDH1A1MAPT
SCHEMBL21119763 0.84 LMNA (0.36) KDM4EMAOAALDH1A1MAPTHPGD
SCHEMBL21120247 0.83 CDK1 (0.41) KDM4EPARP1LIMK1ALDH1A1MAPT
SCHEMBL21119620 0.83 F9 (0.33) KDM4EPARP1LIMK1ALDH1A1MAPT

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