SCHEMBL22329150

SCHEMBL22329150

N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c45)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.42
ABCB1 P08183 5/20 0.42
TNKS O95271 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ABCC1 P33527 2/20 0.39
MYC P01106 1/20 0.39
MAPK1 P28482 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 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 1.00 ABCG2 (0.42) ABCG2ABCB1TNKSALDH1A1MEN1
SCHEMBL38666706 0.99 ABCG2 (0.41) ABCG2ABCB1TNKSALDH1A1MEN1
SCHEMBL22329148 0.93 CYP1A2 (0.46) ABCG2ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL22329420 0.93 CYP1A2 (0.46) ABCG2ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL22329209 0.93 ABCG2 (0.43) ABCG2ABCB1TNKSALDH1A1MEN1
SCHEMBL20392229 0.92 CYP1A2 (0.46) ABCG2ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL22329692 0.91 ABCG2 (0.42) ABCG2ABCB1TNKSALDH1A1MEN1
SCHEMBL22330245 0.91 ABCG2 (0.42) ABCG2ABCB1TNKSALDH1A1MEN1
SCHEMBL22329174 0.90 PLA2G2A (0.40) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL19502131 0.90 PLA2G2A (0.40) ALDH1A1MEN1KMT2ALMNATSHR

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-11581494-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-02-14 US disclosed
US-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 US disclosed