SCHEMBL16406777

SCHEMBL16406777

CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)n4)c3c21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGES O14684 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
SCHEMBL16406747 0.99 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL16406748 0.94 KDM4E (0.33) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL15625643 0.92 KDM4E (0.33) KDM4EL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL15625642 0.92 DUSP3 (0.33) KDM4EL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL19104572 0.92 DUSP3 (0.33) KDM4EL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL12698479 0.92 DUSP3 (0.34) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17246734 0.91 PTGER4 (0.31) PTGER4
SCHEMBL18505564 0.90 DUSP3 (0.32) KDM4EL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL16406776 0.89 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL16406728 0.89 PTGER4 (0.35) PTGER4KDM4EATML3MBTL1

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
US-20150025239-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AHN HEE-CHOON (KR) 2015-01-22 — — US disclosed
US-20150025239-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AHN HEE-CHOON (KR) 2015-01-22 — — US disclosed
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