SCHEMBL9768867

SCHEMBL9768867

CC(=NNC(=O)O)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GAA P10253 5/20 0.60
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GFER P55789 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MTOR P42345 3/20 0.58
BCHE P06276 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL9768862 1.00 NPC1 (0.61) NPC1RAB9ASMN1; SMN2GAAKDM4E
Hydrochloric Acid SCHEMBL9769045 0.98 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAKDM4E
Hydrochloric Acid SCHEMBL9769046 0.98 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL10655053 0.83 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2GAAKDM4E
Isonicotinoylhydrazone Of Acetophenone SCHEMBL6637694 0.83 GAA (0.76) NPC1RAB9ASMN1; SMN2GAAKDM4E
Isonicotinoylhydrazone Of Acetophenone SCHEMBL6637701 0.83 GAA (0.76) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL14938560 0.82 MAPT (0.78) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL27177847 0.82 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL27177854 0.82 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL10650228 0.81 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2GAAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 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-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