SCHEMBL17692039

SCHEMBL17692039

c1ccc2c(c1)ccc1ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ AR P10275 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ GFER P55789 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35

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
SCHEMBL12451898 0.87 CYP1A2 (0.41) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL17231470 0.86 HPRT1 (0.45) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL17691849 0.83 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL20208243 0.82 PARP1 (0.46) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL12578412 0.82 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL17692075 0.81 HPRT1 (0.48) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL19768249 0.81 PARP1 (0.40) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL12577796 0.80 ESR1 (0.41) KDM4EMAPTPARP1TDP1CYP1A2
SCHEMBL12451879 0.79 CCR1 (0.44) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL19768248 0.79 SMN1; SMN2 (0.45) ALDH1A1NPC1RAB9AKDM4EMAPT

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-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 — — US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 — — US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 — — US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 — — US disclosed
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