SCHEMBL8304545

SCHEMBL8304545

Nc1ccc2nc(COC(=O)c3ccccc3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 1/20 0.47
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL9598761 0.84 CYP1A2 (0.69) KMT2AMAPTL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL8309212 0.83 KMT2A (0.53) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL20710415 0.78 MAPT (0.65) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL4940739 0.75 CYP1A2 (0.49) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL8305340 0.74 LIPG (0.55) MAPTL3MBTL1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL659302 0.74 SMN1; SMN2 (0.56) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL4940734 0.73 CLK1 (0.52) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL22130286 0.73 SMN1; SMN2 (0.50) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL21186386 0.72 CYP2D6 (0.63) KMT2AMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL20357506 0.72 SMN1; SMN2 (0.49) KMT2AMEN1MAPTSMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609441-B1 Oxazolidone derivatives as monoamine oxidase inhibitors EISAI CO LTD (JP) 1999-07-21 EP disclosed
US-5475014-A Monoamine oxidase inhibor; antidepressant EISAI CO., LTD. (JP) 1995-12-12 US disclosed
EP-0609441-A1 OXAZOLIDONE DERIVATIVE Eisai Co., Ltd. (JP) 1994-08-10 EP disclosed