SCHEMBL8722229

SCHEMBL8722229

NNc1ccc(C([O])=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.50
HCAR3 P49019 13/20 0.47
HCAR2 Q8TDS4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL383413 0.84 NNMT (0.70) NNMTHCAR3KDM4E
SCHEMBL158601 0.84 HCAR3 (0.67) HCAR3HCAR2
SCHEMBL29505896 0.84 HCAR3 (0.67) HCAR3HCAR2
SCHEMBL11005841 0.82 NNMT (0.53) NNMTHCAR3HCAR2KDM4EGAA
Hydrochloric Acid SCHEMBL5789616 0.82 HCAR3 (0.65) HCAR3HCAR2
Ammonia Solution, Strong SCHEMBL28249483 0.82 HCAR3 (0.65) HCAR3HCAR2
SCHEMBL217496 0.82 NNMT (0.49) NNMTHCAR3HCAR2KDM4EMAPT
SCHEMBL8815728 0.82 NNMT (0.49) NNMTHCAR3HCAR2
Hydrazine SCHEMBL628678 0.82 NNMT (0.68) NNMTHCAR3KDM4E
SCHEMBL2487358 0.79 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-5753520-A BIOCHEMICAL CONJUGATED WITH A HYDRAZINE OR A HYDRAZONE COMPOUND AS DRUG DELIVERY; HIGH BIOLOGICAL SPECIFICITY; MEDICINE FOR IMAGING, THERAPY, RADIOACTIVE TAGGING JOHNSON MATTHEY INC. (US) 1998-05-19 US disclosed