SCHEMBL30142987

SCHEMBL30142987

O=C(NCCCCCCNC(=O)c1ccccn1)NCc1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.75
FES P07332 1/20 0.74
RET P07949 1/20 0.74
MARK3 P27448 1/20 0.74
TYK2 P29597 1/20 0.74
FLT4 P35916 1/20 0.74
SYK P43405 1/20 0.74
CLK2 P49760 1/20 0.74
CLK4 Q9HAZ1 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55

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
SCHEMBL30143012 0.89 HTT (0.72) HTTFESRETMARK3TYK2
SCHEMBL29800992 0.86 HTT (1.00) HTTSMN1; SMN2MMP13POLBKMT2A
SCHEMBL1514550 0.86 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317181 0.86 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317211 0.86 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18334816 0.86 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317601 0.86 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317214 0.86 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317996 0.86 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317546 0.86 FLT4 (1.00) FESRETMARK3TYK2FLT4

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-111848506-B Biphenyl urea compound and pharmaceutical composition, preparation method and application thereof 中国药科大学 2023-01-31 CN disclosed