SCHEMBL8304492

SCHEMBL8304492

N#CC1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
APOBEC3A P31941 1/20 0.70
APOBEC3G Q9HC16 1/20 0.70
SMN1; SMN2 Q16637 7/20 0.57
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PDK1 Q15118 1/20 0.47
TP53 P04637 3/20 0.45
MITF O75030 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL8308935 0.82 NPC1 (0.62) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL8307585 0.82 RAB9A (0.70) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL8305244 0.81 RAB9A (0.69) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL14824501 0.80 RAB9A (0.79) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL14046587 0.80 RAB9A (0.79) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL2711602 0.80 RAB9A (0.79) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL13054076 0.78 RAB9A (0.64) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL334023 0.77 PPARG (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8305466 0.76 MAPT (0.64) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL23965793 0.75 RAB9A (0.60) RAB9ANPC1APOBEC3AAPOBEC3GSMN1; SMN2

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