SCHEMBL9876452

SCHEMBL9876452

CC(=NN)c1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
TSHR P16473 1/20 0.50
MC4R P32245 1/20 0.50
ADRA1A P35348 1/20 0.50
MC3R P41968 1/20 0.50
KDM4E B2RXH2 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 1/20 0.45
HSP90AA1 P07900 3/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6748574 0.81 KDM4E (0.53) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL14434128 0.81 KDM4E (0.53) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL6449733 0.77 BAZ2B (0.57) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL25154231 0.76 KDM4E (0.44) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL27923673 0.75
SCHEMBL5313214 0.75 BAZ2B (0.46) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL5313208 0.75 BAZ2B (0.46) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL940788 0.73 HSP90AA1 (0.58) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL940555 0.73 HSP90AA1 (0.58) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL14903392 0.71

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 9 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
CN-110606843-B Structure, preparation and application of bipyridyl ketone hydrazone-2-acetylpyrazine 齐鲁工业大学 2022-10-21 CN disclosed
CN-110606843-A Structure, preparation and application of bipyridone hydrazone-2-acetylpyrazine 齐鲁工业大学 2019-12-24 CN disclosed
CN-110606843-A Structure, preparation and application of bipyridone hydrazone-2-acetylpyrazine 齐鲁工业大学 2019-12-24 CN disclosed
US-5049561-A Anthelmintic acylhydrazones, method of use and compositions THE UPJOHN COMPANY (US) 1991-09-17 US disclosed
EP-0370065-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1990-05-30 EP disclosed
WO-1989000992-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1989-02-09 WO disclosed