SCHEMBL29064902

SCHEMBL29064902

C=CCC(C(=O)Nc1cccc2cccnc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDR P35968 1/20 0.53
HDAC1 Q13547 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL30508519 1.00 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL28205773 0.84 KCNQ2 (0.59) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL22072298 0.82 TDP1 (0.54) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL30434501 0.82 TDP1 (0.58) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL28601254 0.82 TDP1 (0.58) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL14581452 0.80 HDAC1 (0.69) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL28591256 0.79 TDP1 (0.51) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL6718145 0.78 MEN1 (0.63) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL30500765 0.77 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL22072355 0.77 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDR

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
CN-116478202-A Method for synthesizing 1, 2-boron alkyne compound 南京工业大学 2023-07-25 CN claimed
CN-116478202-A Method for synthesizing 1, 2-boron alkyne compound 南京工业大学 2023-07-25 CN disclosed