SCHEMBL1660909

SCHEMBL1660909

Nc1ccc(-c2ccc(N)cc2[N+](=O)[O-])cc1.Nc1ccc(OCCCOc2ccc(N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 7/20 0.45
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
PTGES O14684 2/20 0.41
PDE7A Q13946 1/20 0.41
LMNA P02545 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL474215 0.85 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL908698 0.78 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7250749 0.76 PTGES (0.57) TDP1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL13983266 0.76 MAPT (0.50) ALDH1A1TDP1MAPTMAPK1HSD17B10
SCHEMBL6404321 0.76 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL31349171 0.76 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL153657 0.75 ALDH1A1 (0.69) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11407781 0.74 PRSS1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL10711868 0.74 TDP1 (0.59) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL19859713 0.74 MAPT (0.48) ALDH1A1MAPTMAPK1KMT2AMEN1

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-2308826-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed