SCHEMBL9868037

SCHEMBL9868037

N#C/C(=N\Nc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
LMNA P02545 3/20 0.76
HTT P42858 3/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
CYP3A4 P08684 1/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
CISD1 Q9NZ45 1/20 0.66
RAPGEF3 O95398 11/20 0.62
RAPGEF4 Q8WZA2 4/20 0.62
ALB P02768 1/20 0.58
GAA P10253 1/20 0.54
ALOX12 P18054 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL9865909 1.00 MAPT (0.76) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL9867790 0.87 MAPT (0.70) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL3678595 0.87 MAPT (0.70) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL9868712 0.85 MAPT (0.67) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL9868710 0.85 MAPT (0.67) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL9868180 0.82 MAPT (0.65) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL9868178 0.82 MAPT (0.65) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL31597668 0.80 MEN1 (0.64) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL38652827 0.80 MEN1 (0.64) MAPTSMN1; SMN2LMNAHTTMEN1
Carbonyl Cyanide M-Chlorophenylhydrazone SCHEMBL29353613 0.80 MAPT (1.00) MAPTSMN1; SMN2LMNAHTTMEN1

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
EP-0412211-A1 Cancer therapy system THERAPEUTICAL SYSTEMS CORPORATION (US) 1991-02-13 EP disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 US disclosed