SCHEMBL26512704

SCHEMBL26512704

COc1cc2c3c(c4c(c2cc1OC)-c1ccccc1C4(C)C)C=CC(c1ccc(-c2nc(-c4ccccc4)c4ccccc4n2)cc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
WHR1 P49842 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 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
SCHEMBL26512701 0.94 WHR1 (0.35) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26513274 0.93 MAPT (0.36) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26513060 0.93 MAPT (0.39) MAPK1CYP1A2CYP3A4USP2CLK4
SCHEMBL26512714 0.92 PIK3CA (0.36) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26512968 0.92 NTSR1 (0.36) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26512690 0.89 TLR9 (0.35) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26512626 0.89 TTK (0.35) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26512680 0.89 MAPT (0.35) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26512708 0.89 WHR1 (0.40) MAPTLMNAMEN1KMT2AWHR1
SCHEMBL29453309 0.88 STK10 (0.35) MAPK1CYP1A2CYP3A4USP2CYP2D6

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-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed