SCHEMBL18553283

SCHEMBL18553283

Brc1cccc(-c2ccc3c(c2)c2cc4ccc5c6ccccc6sc5c4cc2n3-c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL18553622 0.93 ALOX5 (0.32) EGFRALOX5KDM4EATML3MBTL1
SCHEMBL18553275 0.89 L3MBTL1 (0.36) EGFRKDM4EATML3MBTL1NPC1
SCHEMBL18666280 0.89 KDM4E (0.32) ALOX5KDM4EATML3MBTL1TNKS
SCHEMBL24340851 0.87 KDM4E (0.40) ALOX5KDM4EATML3MBTL1TNKS
SCHEMBL18665969 0.87 KDM4E (0.37) ALOX5KDM4EATML3MBTL1CYP1A1
SCHEMBL18553245 0.87 TNKS (0.33) EGFRALOX5KDM4EATML3MBTL1
SCHEMBL18553279 0.85 ALOX5 (0.31) ALOX5
SCHEMBL18665823 0.85 L3MBTL1 (0.36) EGFRKDM4EATML3MBTL1MGAM
SCHEMBL24341367 0.84 ALOX5 (0.31) ALOX5
SCHEMBL18553290 0.84 KDM4E (0.40) ALOX5KDM4EATML3MBTL1CYP1A1

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
WO-2017030307-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS COMPRISING SAME 덕산네오룩스 주식회사 2017-02-23 — — WO disclosed
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