SCHEMBL8520382

SCHEMBL8520382

O=c1[nH]c2cc([N+](=O)[O-])c(S(=O)(=O)NCCCN3CCOCC3)cc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.55
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 3/20 0.48
▸ PKM P14618 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL8415265 0.94 PKM (0.56) KDM4EALDH1A1KMT2APKM
SCHEMBL8414084 0.83 PARP1 (0.53) KDM4EKMT2AMAPTCYP3A4
SCHEMBL1961249 0.79 KDM4E (0.64) KDM4EALDH1A1KMT2APOLBPKM
SCHEMBL8413952 0.76 GRIA2 (0.53) KDM4EALDH1A1KMT2APKMMAPT
SCHEMBL8414072 0.76 MAPT (0.47) ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL7497881 0.74 PKM (0.71) KDM4EALDH1A1KMT2APOLBPKM
SCHEMBL9620614 0.73 ALDH1A1 (0.58) KDM4EALDH1A1KMT2APOLBPKM
SCHEMBL8413733 0.73 LMNA (0.49) KDM4EALDH1A1KMT2APOLBPKM
SCHEMBL9620583 0.73 ALDH1A1 (0.57) KDM4EALDH1A1KMT2APOLBPKM
SCHEMBL2749472 0.72 KMT2A (0.65) KDM4EALDH1A1KMT2APKMMAPT

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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