SCHEMBL2454547

SCHEMBL2454547

O=C(CO)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
KDM4E B2RXH2 8/20 0.51
POLB P06746 2/20 0.49
HPGD P15428 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 4/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRAF P15056 1/20 0.45
CNR1 P21554 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
SCHEMBL5274289 0.83 KDM4E (0.58) PTGESKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL6018249 0.80 KDM4E (0.51) PTGESKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL11227523 0.80 KDM4E (0.51) PTGESKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL7267270 0.76 KDM4E (0.59) KDM4EHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL10561379 0.75 CNR1 (0.51) PTGESKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL7047758 0.73 KDM4E (0.51) PTGESKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL31106525 0.73 KDM4E (0.55) PTGESKDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL11147319 0.72 KDM4E (0.56) PTGESKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL30424870 0.71 KDM4E (0.49) PTGESKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL2027314 0.70 MAPK13 (0.52) KMT2AMEN1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036719-A Oxygen-mediated trospium chloride key intermediate microchannel synthesis method 山东新时代药业有限公司 2026-05-15 CN disclosed
WO-2011116491-A1 PREPARATION METHOD FOR NORTROPINE BENZILATE AND ITS SALTS AND INTERMEDIATES USED IN SAID METHOD 北京世纪迈劲生物科技有限公司 (CN) 2011-09-29 WO disclosed