SCHEMBL9769000

SCHEMBL9769000

CC(=NN)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
GAA P10253 3/20 0.51
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
APP P05067 1/20 0.48
HCAR3 P49019 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL1254940 0.83 PKM (0.61) PKMF7F3SARM1SIRT2
SCHEMBL29509895 0.82 PKM (0.59) PKMF7F3SARM1SIRT2
SCHEMBL10665182 0.82 PKM (0.59) PKMF7F3SARM1SIRT2
SCHEMBL3144867 0.82 PKM (0.59) PKMF7F3SARM1SIRT2
SCHEMBL6585602 0.82 PKM (0.59) PKMF7F3SARM1SIRT2
SCHEMBL3144873 0.82 PKM (0.59) PKMF7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL27641130 0.80 PKM (0.57) PKMF7F3SARM1SIRT2
Iodomethane SCHEMBL9502429 0.78 PKM (0.56) PKMF7F3SARM1SIRT2
Iodomethane SCHEMBL9502426 0.78 PKM (0.56) PKMF7F3SARM1SIRT2
SCHEMBL27764447 0.78 F7 (0.59) 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 7 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
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US disclosed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed