SCHEMBL26513005

SCHEMBL26513005

COc1ccc(C2(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
ACACA Q13085 1/20 0.39
MAPT P10636 4/20 0.36
ADORA3 P0DMS8 4/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
FLT3 P36888 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ACP1 P24666 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL26513001 1.00 BRD4 (0.41) BRD4ACACAMAPTADORA3HPGD
SCHEMBL26512994 0.95 MAPT (0.36) BRD4ACACAMAPTADORA3HPGD
SCHEMBL26512634 0.94 BRD4 (0.39) BRD4ACACAMAPTADORA3HPGD
SCHEMBL26512629 0.94 BRD4 (0.39) BRD4ACACAMAPTADORA3HPGD
SCHEMBL26513007 0.94 ACACA (0.36) BRD4ACACAMAPTADORA3HPGD
SCHEMBL26513010 0.93 ACACA (0.39) BRD4ACACAMAPTHPGDLMNA
SCHEMBL26513004 0.92 ACACA (0.38) BRD4ACACAMAPTADORA3HPGD
SCHEMBL26513053 0.92 GPR84 (0.36) BRD4ACACAMAPTLMNACYP1A1
SCHEMBL26513016 0.91 MAPT (0.33) BRD4ACACAMAPTADORA3LMNA
SCHEMBL26512580 0.91 ACACA (0.36) BRD4ACACAMAPTADORA3HPGD

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