SCHEMBL28205773

SCHEMBL28205773

CCC(C(=O)Nc1cccc2cccnc12)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 5/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
KDR P35968 1/20 0.56
HTT P42858 2/20 0.55
LMNA P02545 2/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
GAA P10253 1/20 0.54
THRB P10828 1/20 0.54
TP53 P04637 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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 0.84 MEN1 (0.55) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL29064902 0.84 MEN1 (0.55) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL14581452 0.83 HDAC1 (0.69) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL29763592 0.83 POLB (0.47) KCNQ2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6718145 0.81 MEN1 (0.63) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL28252022 0.81 NLN (0.64) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL28252023 0.81 NLN (0.64) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL13166879 0.80 KCNQ2 (0.66) KCNQ2MAPTSMN1; SMN2HTTLMNA
SCHEMBL6719381 0.79 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL29152858 0.78 SLC40A1 (0.70) MAPTMEN1KMT2ASMN1; SMN2POLB

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-107793351-B Beta-amino acid synthesis method and beta-amino acid synthesized by same 上海交通大学 2020-11-10 CN disclosed
CN-107793351-A A kind of synthetic method of beta amino acids and the beta amino acids using this method synthesis 上海交通大学 2018-03-13 CN disclosed