SCHEMBL24414652

SCHEMBL24414652

Cc1ccc2c(-c3cccc(B(O)O)c3)c3ccccc3c(-c3cccc4ccccc34)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
PLG P00747 1/20 0.37
F12 P00748 1/20 0.37
F11 P03951 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHFR P00374 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 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
SCHEMBL29563619 1.00 MGLL (0.42) MGLLPLGF12F11KLKB1
SCHEMBL12424867 0.89 MGLL (0.51) MGLLPLGF12F11KLKB1
SCHEMBL31336302 0.89 MGLL (0.51) MGLLPLGF12F11KLKB1
SCHEMBL24414438 0.87 MGLL (0.53) MGLLPLGF12F11KLKB1
SCHEMBL29512215 0.82 CYP2A6 (0.50) MAOAMAOBCYP1A2CYP2A6KDM4E
SCHEMBL736086 0.82 CYP2A6 (0.50) MAOAMAOBCYP1A2CYP2A6KDM4E
SCHEMBL1191141 0.81 CA1 (0.47) MGLLKDM4EDHFRCA1CA2
SCHEMBL23525626 0.81 CYP2A6 (0.48) MAOAMAOBCYP1A2CYP2A6KDM4E
SCHEMBL23633147 0.80 CYP2A6 (0.44) MAOAMAOBCYP1A2CYP2A6ALDH1A1
SCHEMBL29865394 0.80 CYP2A6 (0.44) MAOAMAOBCYP1A2CYP2A6ALDH1A1

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
CN-114497403-A Organic light emitting device and electronic apparatus including the same 三星显示有限公司 2022-05-13 CN disclosed
US-20220149293-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-12 US disclosed