SCHEMBL12557529

SCHEMBL12557529

C1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18872780 0.96 HSP90AA1 (0.37) HSP90AA1L3MBTL1KDM4EATMALDH1A1
SCHEMBL21779718 0.90 L3MBTL1 (0.40) HSP90AA1L3MBTL1KDM4EATMHDAC4
SCHEMBL12153423 0.90 L3MBTL1 (0.38) L3MBTL1KDM4EATMHDAC4ALDH1A1
SCHEMBL21695062 0.89 EPHX2 (0.34) HSP90AA1L3MBTL1KDM4EATMEPHX2
SCHEMBL257569 0.87 KDM4E (0.43) L3MBTL1KDM4EATMHDAC4
SCHEMBL12180924 0.87 KDM4E (0.36) L3MBTL1KDM4EATMHDAC4
SCHEMBL11888670 0.87 KDM4E (0.38) L3MBTL1KDM4EATMEPHX2HDAC4
SCHEMBL881129 0.85 KDM4E (0.37) L3MBTL1KDM4EATMTDP1
SCHEMBL12939244 0.84 L3MBTL1 (0.48) L3MBTL1KDM4EATMALDH1A1MAPK1
SCHEMBL12234458 0.84 L3MBTL1 (0.41) L3MBTL1KDM4EATMHDAC4ALDH1A1

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
EP-2332931-A2 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG Chem, Ltd. (KR) 2011-06-15 — — EP disclosed
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