SCHEMBL8305466

SCHEMBL8305466

CCOC(=O)C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
ALDH1A1 P00352 5/20 0.64
TP53 P04637 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
GAA P10253 2/20 0.64
TSHR P16473 1/20 0.64
RAB9A P51151 3/20 0.62
NPC1 O15118 3/20 0.61
APOBEC3A P31941 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CASP3 P42574 1/20 0.49

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
SCHEMBL8307585 0.84 RAB9A (0.70) MAPTALDH1A1TP53SMN1; SMN2TSHR
SCHEMBL8305244 0.83 RAB9A (0.69) MAPTALDH1A1TP53SMN1; SMN2TSHR
SCHEMBL16648810 0.81 MAPT (0.64) MAPTALDH1A1TP53SMN1; SMN2CYP2C9
SCHEMBL14046587 0.76 RAB9A (0.79) MAPTALDH1A1SMN1; SMN2TSHRRAB9A
SCHEMBL27774 0.76 MAPT (1.00) MAPTALDH1A1TP53SMN1; SMN2GAA
SCHEMBL8304492 0.76 RAB9A (0.70) MAPTALDH1A1TP53SMN1; SMN2GAA
SCHEMBL14121472 0.76 ALDH1A1 (0.54) MAPTALDH1A1TP53SMN1; SMN2GAA
SCHEMBL14122200 0.76 MAPT (0.54) MAPTALDH1A1TP53SMN1; SMN2CYP2C9
SCHEMBL14612059 0.75 MAPT (0.65) MAPTALDH1A1TP53SMN1; SMN2GAA
SCHEMBL2662096 0.75 MAPT (0.74) MAPTALDH1A1TP53CYP2C19GAA

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