SCHEMBL8997010

SCHEMBL8997010

O=[N+]([O-])c1ccccc1NCCNCCCC(CCO)CCO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.56
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8654854 0.83 KAT2B (0.66) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8647822 0.81 KAT2B (0.60) KAT2BNPC1RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8645147 0.81 KAT2B (0.67) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9000136 0.81 KAT2B (0.57) KAT2BNPC1RAB9AMAPTSMN1; SMN2
Diethanolamine SCHEMBL198856 0.80 KAT2B (0.60) KAT2BNPC1RAB9AMAPTSMN1; SMN2
Diethanolamine SCHEMBL198603 0.79 KAT2B (0.64) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14960116 0.78 KAT2B (0.59) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5922386 0.78 KAT2B (0.71) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL110446 0.78 KAT2B (0.66) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29390623 0.78 KAT2B (0.66) KAT2BNPC1RAB9AMAPTSMN1; 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-8187340-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2012-05-29 US disclosed