SCHEMBL26513007

SCHEMBL26513007

COc1ccc(C2(c3cc(-c4ccccc4)nc(-c4ccccc4)n3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 1/20 0.36
BRD4 O60885 1/20 0.36
ADORA3 P0DMS8 4/20 0.35
MAPT P10636 5/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
FLT3 P36888 1/20 0.32
TP53 P04637 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
ACP1 P24666 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26512636 0.94 BRD4 (0.34) ACACABRD4ADORA3MAPTHPGD
SCHEMBL26513005 0.94 BRD4 (0.41) ACACABRD4ADORA3MAPTHPGD
SCHEMBL26513001 0.94 BRD4 (0.41) ACACABRD4ADORA3MAPTHPGD
SCHEMBL26513013 0.92 ACACA (0.36) ACACABRD4ADORA3MAPTHPGD
SCHEMBL26512994 0.90 MAPT (0.36) ACACABRD4ADORA3MAPTHPGD
SCHEMBL26512788 0.90 ACACA (0.35) ACACABRD4ADORA3MAPTHPGD
SCHEMBL26513004 0.89 ACACA (0.38) ACACABRD4ADORA3MAPTHPGD
SCHEMBL26513010 0.89 ACACA (0.39) ACACABRD4MAPTHPGDKDM4E
SCHEMBL26512998 0.88 MAPT (0.33) ACACABRD4ADORA3MAPTHPGD
SCHEMBL26513053 0.87 GPR84 (0.36) ACACABRD4MAPTLMNATP53

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