SCHEMBL7376388

SCHEMBL7376388

O=C(O)Nc1cccc2c1Oc1ccccc1N2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
HTR2B P41595 2/20 0.37
HTR7 P34969 1/20 0.37
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL7332592 0.76 ALOX5 (0.67) ALOX5MEN1KMT2AHTR2BHTR7
SCHEMBL27849751 0.74 ALOX5 (0.55) ALOX5MEN1KMT2AHTR2BHTR7
Phenoxazine SCHEMBL6270610 0.74 ALOX5 (0.77) ALOX5MEN1KMT2AHTR2BHTR7
SCHEMBL27918249 0.73 ALOX5 (0.54) ALOX5MEN1KMT2AHTR2BHTR7
SCHEMBL11216039 0.73 ALOX5 (0.47) ALOX5MEN1KMT2AHTR2BHTR7
SCHEMBL7378071 0.73 MAOA (0.47) HTTTP53
SCHEMBL10559993 0.72 ALOX5 (0.53) ALOX5HTR2BHTR7
SCHEMBL10558860 0.72 ALOX5 (0.59) ALOX5MEN1KMT2ATP53
SCHEMBL5119557 0.72 ALOX5 (0.59) ALOX5MEN1KMT2AHTR2BHTR7
SCHEMBL31191635 0.72 ALOX5 (0.59) ALOX5MEN1KMT2ATP53

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
WO-1995031449-A1 NOVEL 3,5-DIMETHYLPIPERIDIN-1-YLALKYL ESTERS SANOFI (FR) 1995-11-23 WO disclosed