SCHEMBL23739284

SCHEMBL23739284

COc1c([N+](=O)[O-])ccc(C=O)c1N=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ERN1 O75460 4/20 0.37
NPC1 O15118 3/20 0.37
PKM P14618 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 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
SCHEMBL1534545 0.82 ALDH1A1 (0.53) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL14092107 0.80 ALDH1A1 (0.50) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL790725 0.78 ERN1 (0.54) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL9275679 0.78 ALDH1A1 (0.49) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL1535289 0.76 ALDH1A1 (0.44) MAPTALDH1A1KDM4EL3MBTL1ERN1
SCHEMBL28482991 0.75 MAPT (0.43) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL12154699 0.75 ERN1 (0.54) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL3839293 0.75 ALDH1A1 (0.49) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL2885741 0.74 ERN1 (0.57) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL93023 0.74 CA1 (0.54) ALDH1A1ERN1TDP1HPGD

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
EP-3224238-B1 NOVEL CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-08-11 EP disclosed