SCHEMBL8414084

SCHEMBL8414084

O=c1[nH]c2cc([N+](=O)[O-])c(S(=O)(=O)NCCN3CCCCC3)cc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.53
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SIGMAR1 Q99720 6/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GRIK1 P39086 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ GRIA4 P48058 1/20 0.44
▸ BLM P54132 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
SCHEMBL8415265 0.89 PKM (0.56) KDM4ESMN1; SMN2KMT2AHPGDTSHR
SCHEMBL8520382 0.83 KDM4E (0.58) MAPTKDM4EKMT2ACYP3A4
SCHEMBL27616066 0.81 PARP1 (0.51) PARP1LMNAMAPTKDM4EGAA
SCHEMBL8413952 0.79 GRIA2 (0.53) LMNAMAPTKDM4EGAAKMT2A
SCHEMBL8413733 0.76 LMNA (0.49) LMNAMAPTKDM4EGAASMN1; SMN2
SCHEMBL7027741 0.76 KMT2A (0.65) LMNAMAPTKDM4EGAASMN1; SMN2
SCHEMBL8414072 0.74 MAPT (0.47) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL8413597 0.74 TSHR (0.46) LMNAMAPTKDM4EGAAGRIN2D
SCHEMBL8415259 0.73 GRIA2 (0.51) LMNAMAPTKDM4EKMT2AGRIN2D
SCHEMBL4772036 0.70 KDM4E (0.90) LMNAMAPTKDM4EGAASMN1; 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 4 patents. 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 claimed
EP-0759910-A1 ACID AMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF EGIS GYOGYSZERGYAR RT. (HU) 1997-03-05 — — EP claimed
WO-1995031443-A1 ACID AMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF EGIS Gyógyszergyár Rt. (HU) 1995-11-23 — — WO claimed
US-5912245-A AMPA AND KAINATE ANTAGONISTS. EGIS GYOGYSZERGYAR RT. (HU) 1999-06-15 — — US disclosed
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