SCHEMBL8720672

SCHEMBL8720672

O=[N+]([O-])c1ccccc1NCCCCCCCCCCCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.78
MAPT P10636 5/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
PRSS1 P07477 2/20 0.54
CASP7 P55210 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
IDO1 P14902 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL6198359 1.00 KAT2B (0.78) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6200169 0.98 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7170020 0.94 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7970498 0.92 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11380052 0.92 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3476711 0.92 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14220312 0.92 KAT2B (0.88) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3477027 0.92 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9011355 0.92 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3476402 0.92 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708123-A FOR USE IN DEVICES WITH AN ELECTROCHROMIC DISPLAY OR ANOTHER ELECTROCHROMIC COLOR CHANGE OR IN BATTERIES NKT RESEARCH CENTER A/S (DK) 1998-01-13 US disclosed