SCHEMBL9876224

SCHEMBL9876224

CC(=NNC(=O)O)c1cnccn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.60
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
HSP90AA1 P07900 2/20 0.52
KDM4E B2RXH2 3/20 0.52
NAPRT Q6XQN6 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ADORA3 P0DMS8 1/20 0.46
TSHR P16473 1/20 0.46
MC4R P32245 1/20 0.46
ADRA1A P35348 1/20 0.46
MC3R P41968 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9876221 1.00 GAA (0.60) GAASMN1; SMN2NPC1RAB9AHSP90AA1
SCHEMBL940555 0.79 HSP90AA1 (0.58) GAASMN1; SMN2NPC1RAB9AHSP90AA1
SCHEMBL940788 0.79 HSP90AA1 (0.58) GAASMN1; SMN2NPC1RAB9AHSP90AA1
SCHEMBL9768809 0.77 LMNA (0.69) GAASMN1; SMN2NPC1RAB9AHSP90AA1
SCHEMBL9768802 0.77 LMNA (0.69) GAASMN1; SMN2NPC1RAB9AHSP90AA1
SCHEMBL27895124 0.73 HSP90AA1 (0.46) GAASMN1; SMN2NPC1RAB9AHSP90AA1
SCHEMBL28402900 0.73 HSP90AA1 (0.67) GAASMN1; SMN2NPC1RAB9AHSP90AA1
SCHEMBL9876260 0.72 GAA (0.38) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9876264 0.72 GAA (0.38) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6748574 0.72 KDM4E (0.53) GAASMN1; SMN2NPC1RAB9AHSP90AA1

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-5049561-A Anthelmintic acylhydrazones, method of use and compositions THE UPJOHN COMPANY (US) 1991-09-17 US claimed
EP-0370065-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1990-05-30 EP claimed
WO-1989000992-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1989-02-09 WO claimed