SCHEMBL16352574

SCHEMBL16352574

CC1(C)OB(c2cc3c(nc(-c4ccccc4)n3-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c23)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL16352572 0.81 MAT2A (0.36) ESR1ESR2NR1H2NR1H3LPL
SCHEMBL19849971 0.80 KDM4E (0.38) ALDH1A1LPLLIPGTSHRKDM4E
SCHEMBL16352562 0.80 NR1H2 (0.40) RXFP1ESR1ESR2ALDH1A1NR1H2
SCHEMBL16352424 0.79 ESR1 (0.40) RXFP1ESR1ESR2ALDH1A1NR1H2
SCHEMBL16352571 0.78 ESR1 (0.39) RXFP1ESR1ESR2ALDH1A1PI4KA
SCHEMBL16985990 0.77 KDM4E (0.37) ALDH1A1LPLLIPGTSHRKDM4E
SCHEMBL29684308 0.75 KDM4E (0.41) ALDH1A1LPLLIPGTSHRKDM4E
SCHEMBL21109821 0.75 KDM4E (0.41) ALDH1A1LPLLIPGTSHRKDM4E
SCHEMBL16985692 0.75 KDM4E (0.44) ALDH1A1LPLLIPGTSHRCYP2C19
SCHEMBL2627618 0.74 KDM4E (0.37) ALDH1A1LPLLIPGTSHRKDM4E

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-9419229-B2 Compound, organic optoelectric device including the same and display device including the optoelectric device CHEIL INDUSTRIES, INC. (KR) 2016-08-16 — — US disclosed
US-9419229-B2 Compound, organic optoelectric device including the same and display device including the optoelectric device CHEIL INDUSTRIES, INC. (KR) 2016-08-16 — — US disclosed
US-20140374706-A1 COMPOUND, ORGANIC OPTOELECTRIC DEVICE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE OPTOELECTRIC DEVICE CHEIL INDUSTRIES, INC. (KR) 2014-12-25 — — US disclosed
US-20140374706-A1 COMPOUND, ORGANIC OPTOELECTRIC DEVICE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE OPTOELECTRIC DEVICE CHEIL INDUSTRIES, INC. (KR) 2014-12-25 — — US disclosed
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