SCHEMBL7164902

SCHEMBL7164902

O=[N+]([O-])c1ccc(C2=NN=C(C=NO)Cc3cc4c(cc32)OCO4)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRIA2 P42262 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
TERT O14746 1/20 0.39
PTPN1 P18031 1/20 0.37

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
SCHEMBL8026805 1.00 MAPT (0.45) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7236400 0.90 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7236396 0.90 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7225935 0.90 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7160554 0.87 MAPT (0.48) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7492463 0.81 MAPT (0.69) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7491310 0.80 MAPT (0.42) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7167530 0.80 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7163609 0.80 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7163491 0.78 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2

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
US-6562810-B1 Competitive AMPA/kainite antagonist properties making them useful in the treatment of diseases where inhibition of the AMPA/kainite receptors may a favorable effect EGIS GYOGYSZERGYAR RT. (HU) 2003-05-13 US claimed
WO-2000053166-A2 USE OF CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF DISEASES RELATED TO THE INHIBITION OF LIPID PEROXIDATION EGIS Gyógyszergyár Rt. (HU) 2000-09-14 WO disclosed