SCHEMBL9769052

SCHEMBL9769052

NN=C(c1cccnc1)C1COCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SIRT4 Q9Y6E7 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
APP P05067 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL9768794 0.81 NPC1 (0.34) NPC1RAB9AKDM4E
SCHEMBL9768801 0.79 SMN1; SMN2 (0.46) ALDH1A1GAANPC1RAB9AAPP
SCHEMBL9768811 0.79 SMN1; SMN2 (0.46) ALDH1A1GAANPC1RAB9AAPP
SCHEMBL9768803 0.77 ALDH1A1 (0.49) F7F3SARM1SIRT2SIRT6
SCHEMBL834568 0.67 F7 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL27764447 0.67 F7 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL9769000 0.65 PKM (0.57) F7F3SARM1SIRT2SIRT6
SCHEMBL11863013 0.63 SLC6A4 (0.42) SMN1; SMN2MAPTKDM4E
SCHEMBL2427999 0.62 SLC18A3 (0.52) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL28170359 0.62 F7 (0.79) F7F3SARM1SIRT2SIRT6

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
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US claimed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed