SCHEMBL8815728

SCHEMBL8815728

[NH]C(=O)c1ccc(NN)nc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.49
HCAR3 P49019 11/20 0.46
PTGS1 P23219 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL29505896 0.82 HCAR3 (0.67) HCAR3HCAR2
SCHEMBL383413 0.82 NNMT (0.70) NNMTHCAR3
SCHEMBL8722229 0.82 NNMT (0.50) NNMTHCAR3HCAR2
SCHEMBL158601 0.82 HCAR3 (0.67) HCAR3HCAR2
SCHEMBL11005841 0.81 NNMT (0.53) NNMTHCAR3HCAR2
Hydrochloric Acid SCHEMBL5789616 0.81 HCAR3 (0.65) HCAR3HCAR2
Ammonia Solution, Strong SCHEMBL28249483 0.81 HCAR3 (0.65) HCAR3HCAR2
Hydrazine SCHEMBL628678 0.81 NNMT (0.68) NNMTHCAR3
SCHEMBL217496 0.81 NNMT (0.49) NNMTHCAR3HCAR2
SCHEMBL2487358 0.78 NNMT (0.54) NNMTHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679778-A FOR FORMING CONJUGATES WITH MACROMOLECULES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1997-10-21 US disclosed