SCHEMBL29640525

SCHEMBL29640525

NC(=O)CCc1nnc2ccc(Cl)nn12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MET P08581 1/20 0.41
KMT2A Q03164 7/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 3/20 0.38

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
SCHEMBL13401629 0.87 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2METKMT2A
SCHEMBL29640527 0.80 RXFP1 (0.46) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL2420906 0.76 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2METKMT2A
SCHEMBL24770720 0.74 RXFP1 (0.62) KDM4EKMT2APOLBRXFP1
SCHEMBL2695540 0.73 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2METKMT2A
SCHEMBL3711939 0.73 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2METKMT2A
SCHEMBL4797576 0.73 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2METKMT2A
SCHEMBL31735817 0.73 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2METKMT2A
SCHEMBL23116158 0.70 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2METKMT2A
SCHEMBL28741968 0.70 SIGMAR1 (0.56) KMT2APOLBMEN1

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-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 CN disclosed