SCHEMBL8415265

SCHEMBL8415265

O=c1[nH]c2cc([N+](=O)[O-])c(S(=O)(=O)NCCN3CCOCC3)cc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.50
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HPGD P15428 1/20 0.44

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
SCHEMBL8520382 0.94 KDM4E (0.58) PKMKDM4EALDH1A1KMT2A
SCHEMBL8414084 0.89 PARP1 (0.53) KDM4ESMN1; SMN2KMT2ATSHRHPGD
SCHEMBL7497881 0.80 PKM (0.71) PKMKDM4EUSP2ALDH1A1MAPK1
SCHEMBL2749472 0.78 KMT2A (0.65) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8413952 0.78 GRIA2 (0.53) PKMKDM4EALDH1A1KMT2ATSHR
SCHEMBL8413733 0.75 LMNA (0.49) PKMKDM4EUSP2ALDH1A1SMN1; SMN2
SCHEMBL30007934 0.73 KDM4E (0.86) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL21247083 0.73 KDM4E (0.86) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8414072 0.73 MAPT (0.47) ALDH1A1SMN1; SMN2KMT2ATSHRHPGD
SCHEMBL9620317 0.72 PKM (0.56) PKMKDM4EALDH1A1MAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912245-A AMPA AND KAINATE ANTAGONISTS. EGIS GYOGYSZERGYAR RT. (HU) 1999-06-15 — — US disclosed
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