SCHEMBL8309212

SCHEMBL8309212

O=C(OCc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
NPC1 O15118 1/20 0.49
S1PR2 O95136 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
DYRK1A Q13627 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
SCHEMBL8304545 0.83 KMT2A (0.54) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9598761 0.80 CYP1A2 (0.69) KMT2AMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL658878 0.78 HTT (0.61) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8303937 0.76 SMN1; SMN2 (0.61) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL22130133 0.74 ALDH1A1 (0.59) KMT2AMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL14267744 0.74 ALOX5 (0.49) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL12344276 0.73 SMN1; SMN2 (0.66) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4301852 0.73 KMT2A (0.54) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2187627 0.73 NPC1 (0.80) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8358751 0.72 KMT2A (0.67) KMT2AMEN1ALDH1A1HTTLMNA

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