SCHEMBL22329209

SCHEMBL22329209

N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.43
TNKS O95271 1/20 0.43
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 1/20 0.42
ABCB1 P08183 5/20 0.41
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL22329421 0.93 ABCG2 (0.42) ABCG2TNKSMEN1ALDH1A1CYP1A2
SCHEMBL22330245 0.93 ABCG2 (0.42) ABCG2TNKSMEN1ALDH1A1CYP1A2
SCHEMBL22329692 0.93 ABCG2 (0.42) ABCG2TNKSMEN1ALDH1A1CYP1A2
SCHEMBL22329150 0.93 ABCG2 (0.42) ABCG2TNKSMEN1ALDH1A1CYP1A2
SCHEMBL24930385 0.92 ABCG2 (0.40) ABCG2TNKSMEN1ALDH1A1CYP1A2
SCHEMBL38666706 0.92 ABCG2 (0.41) ABCG2TNKSMEN1ALDH1A1CYP1A2
SCHEMBL22329912 0.90 ABCG2 (0.42) ABCG2TNKSMEN1ALDH1A1CYP1A2
SCHEMBL22329906 0.90 ABCG2 (0.42) ABCG2TNKSMEN1ALDH1A1CYP1A2
SCHEMBL21109256 0.89 MAPT (0.42) MEN1ALDH1A1KMT2ALMNAHSD17B10
SCHEMBL21108845 0.89 MAPT (0.42) MEN1ALDH1A1KMT2ALMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 US disclosed