SCHEMBL7801913

SCHEMBL7801913

Nc1cc(Oc2ccncc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 7/20 0.55
LMNA P02545 5/20 0.55
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE7A Q13946 1/20 0.41
RAF1 P04049 1/20 0.41
NR4A1 P22736 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL9195043 0.88 MAPT (0.67) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL5348283 0.85 TDP1 (0.65) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL4362875 0.85 ALDH1A1 (0.56) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL30060469 0.84 MAPT (0.58) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL7807114 0.84 MAPT (0.58) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11015121 0.83 MAPT (0.56) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11715342 0.83 MAPT (0.56) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL1373865 0.83 HSPB1 (0.57) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11012447 0.83 MAPT (0.60) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11655847 0.83 MAPT (0.56) MAPTALDH1A1LMNATDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 EP disclosed
US-5972968-A INTERLEUKIN INHIBITOR ADIR ET COMPAGNIE (FR) 1999-10-26 US disclosed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed