SCHEMBL28514992

SCHEMBL28514992

Nc1cc(-c2ccccc2OCc2ccccc2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
DCPS Q96C86 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SGMS2 Q8NHU3 1/20 0.47
BRD4 O60885 4/20 0.47
TLR4 O00206 1/20 0.46
TLR3 O15455 1/20 0.46
TLR5 O60602 1/20 0.46
TLR2 O60603 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
CAMK1 Q14012 1/20 0.46
CAMK4 Q16566 1/20 0.46
PNCK Q6P2M8 1/20 0.46
CAMK1D Q8IU85 1/20 0.46
CAMK1G Q96NX5 1/20 0.46
TLR9 Q9NR96 1/20 0.46

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
SCHEMBL14511478 0.83 MAOB (0.43) DCPSBRD4TLR4TLR3TLR5
SCHEMBL28516032 0.80 TLR8 (0.56) ACHETLR4TLR3TLR5TLR2
SCHEMBL28505487 0.79 ACHE (0.55) ACHEHTTBRD4NCF1
SCHEMBL28505993 0.78 ACHE (0.63) ACHESMN1; SMN2MAOB
SCHEMBL28514471 0.76 ACHE (0.60) ACHEHTTSMN1; SMN2MAOBPDE5A
SCHEMBL4146196 0.75 XDH (0.65) BRD4TLR4TLR3TLR5TLR2
SCHEMBL25256521 0.74 NCF1 (0.68) DCPSSTAT3HTTSMN1; SMN2LTA4H
SCHEMBL28509535 0.73 LTA4H (0.53) DCPSSGMS2BRD4TLR4TLR3
SCHEMBL8597102 0.73 BRD4 (0.50) DCPSSMN1; SMN2BRD4TLR4TLR3
SCHEMBL1848330 0.73 BRD4 (0.50) BRD4TLR4TLR3TLR5TLR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250142-B Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity 维尔斯达医疗公司 2021-01-26 CN disclosed