SCHEMBL22085487

SCHEMBL22085487

c1cc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)n2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.40
▸ CYP1A1 P04798 8/20 0.34
▸ CYP1B1 Q16678 8/20 0.34
▸ CYP1A2 P05177 7/20 0.33
▸ PRKDC P78527 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ ABCC1 P33527 2/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ GGPS1 O95749 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL23822282 0.89 CYP1A1 (0.38) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL23820681 0.89 PIM1 (0.39) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL24602025 0.89 ALOX5 (0.39) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL24601980 0.89 ALOX5 (0.39) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL24602014 0.89 ALOX5 (0.39) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL24601878 0.89 ALOX5 (0.39) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL23821405 0.88 ALOX5 (0.42) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL23821882 0.88 ALOX5 (0.42) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL24239140 0.88 ALOX5 (0.37) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL25847323 0.88 ALOX5 (0.41) ALOX5CYP1A1CYP1B1CYP1A2PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220037594-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2022-02-03 — — US disclosed
WO-2020130394-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2020-06-25 — — WO disclosed
WO-2020130389-A1 ORGANIC ELECTRONIC DEVICE, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2020-06-25 — — WO disclosed
WO-2020116822-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2020-06-11 — — WO disclosed
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