SCHEMBL21119602

SCHEMBL21119602

c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc7c(ccc8c9ccccc9oc78)c6)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
CYP1A1 P04798 6/20 0.34
CYP1B1 Q16678 6/20 0.34
CYP1A2 P05177 6/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
ALDH1A1 P00352 3/20 0.34
PRKDC P78527 2/20 0.34
ABCC1 P33527 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PDE5A O76074 1/20 0.34
TP53 P04637 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL21119687 0.90 PGR (0.38) ADORA2ACYP1A1CYP1B1CYP1A2MAPT
SCHEMBL21119586 0.89 CYP1A1 (0.37) CYP1A1CYP1B1CYP1A2MAPTKDM4E
SCHEMBL21119867 0.87 ADORA2A (0.37) ADORA2ACYP1A1CYP1B1CYP1A2MAPT
SCHEMBL21119623 0.86 TDP1 (0.35) ADORA2ACYP1A1CYP1A2MAPTKDM4E
SCHEMBL21119853 0.86 ALOX5 (0.39) ADORA2ACYP1A1CYP1B1CYP1A2MAPT
SCHEMBL21119943 0.85 ALOX5 (0.43) ADORA2ACYP1A1CYP1B1CYP1A2MAPT
SCHEMBL21119813 0.83 TDO2 (0.38) ADORA2ACYP1A1CYP1B1CYP1A2MAPT
SCHEMBL21119597 0.82 ALOX5 (0.39) CYP1A1CYP1B1CYP1A2MAPTKDM4E
SCHEMBL21120150 0.82 ADORA2A (0.34) ADORA2ACYP1A2MAPTKDM4EALDH1A1
SCHEMBL21119577 0.81 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2MAPTKDM4E

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