SCHEMBL21119629

SCHEMBL21119629

c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cc7ccc8sc9ccccc9c8c7c7ccccc67)c6cc7ccccc7cc56)nc4c3n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL21119901 0.96 KDM4E (0.32) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL21119810 0.92 PARP1 (0.34) PARP1KDM4EPIM1PIM2
SCHEMBL21119975 0.89 CCR1 (0.34) KDM4EALDH1A1MAPT
SCHEMBL21120000 0.87 ACACA (0.35) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL21119948 0.86 ALOX5 (0.33) PARP1MAPT
SCHEMBL21119653 0.86 CDK1 (0.38) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL21119702 0.86 KDM4E (0.34) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL21119922 0.86 CCR1 (0.36) KDM4EALDH1A1MAPT
SCHEMBL21119895 0.84 S1PR5 (0.33) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL21119633 0.84 PARP1 (0.32) PARP1MAPT

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