SCHEMBL21119586

SCHEMBL21119586

c1cnc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5c(ccc6c7ccccc7oc56)c4)c4ccccc34)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.37
CYP1B1 Q16678 4/20 0.37
CYP1A2 P05177 4/20 0.37
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 5/20 0.36
PRKDC P78527 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR1 P32246 4/20 0.36
CCR8 P51685 4/20 0.36
MAPT P10636 3/20 0.36
CCR5 P51681 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL17246914 0.91 CYP1A1 (0.40) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL21119602 0.89 ADORA2A (0.35) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL21119577 0.89 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2GRM4KDM4E
SCHEMBL23502261 0.88 KDM4E (0.33) CYP1A1CYP1B1CYP1A2GRM4KDM4E
SCHEMBL21120141 0.88 AHR (0.37) CYP1A2GRM4KDM4ECCR1CCR8
SCHEMBL21120228 0.88 ALOX5 (0.38) CYP1A1CYP1B1CYP1A2GRM4KDM4E
SCHEMBL21119913 0.87 ALOX5 (0.43) CYP1A1CYP1B1CYP1A2GRM4KDM4E
SCHEMBL13147144 0.86 CCR1 (0.43) CYP1B1KDM4ECCR1CCR8MAPT
SCHEMBL17246912 0.86 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL12612986 0.86 ALOX5 (0.44) CYP1A2KDM4EPRKDCCCR1CCR8

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