SCHEMBL9736225

SCHEMBL9736225

COC(=O)c1ccc(CN2CCN(C(=O)C3CCC(=O)N3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
CHKA P35790 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.44
CXCR3 P49682 1/20 0.43

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
SCHEMBL9735099 0.87 POLB (0.53) KDM4EGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL8824257 0.85 L3MBTL1 (0.62) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9735532 0.84 PARP1 (0.49) KDM4EKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9736188 0.83 KDM4E (0.54) KDM4EMAPT
SCHEMBL9735095 0.83 PARP1 (0.51)
SCHEMBL9734496 0.83 KMT2A (0.53) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9734811 0.83 HRH2 (0.56) KDM4E
SCHEMBL23632237 0.79 L3MBTL1 (0.67) KDM4EGAAMEN1KMT2AMAPT
SCHEMBL18074822 0.76 ALDH1A1 (0.67) KDM4EGAAMEN1KMT2AMAPT
SCHEMBL9736208 0.75 SMN1; SMN2 (0.62) KDM4EGAAMEN1KMT2AALDH1A1

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
US-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed