SCHEMBL29640527

SCHEMBL29640527

CCOC(=O)CCc1nnc2ccc(Cl)nn12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
POLB P06746 4/20 0.45
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LMNA P02545 1/20 0.40

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 0.81 ALDH1A1 (0.49) RXFP1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL29640525 0.80 KDM4E (0.47) RXFP1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL29640450 0.78 RXFP1 (0.73) RXFP1KDM4EPOLBKMT2A
SCHEMBL29712166 0.76 RXFP1 (0.51) RXFP1KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1775497 0.76 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL24155930 0.75 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL7227594 0.74 HPGD (0.47) RXFP1KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL31735817 0.74 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL4797576 0.74 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL2695540 0.71 KDM4E (0.47) RXFP1KDM4EALDH1A1SMN1; 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 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