SCHEMBL9868178

SCHEMBL9868178

N#C/C(=N\Nc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.65
NPSR1 Q6W5P4 5/20 0.65
GAA P10253 2/20 0.65
KDM4E B2RXH2 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 4/20 0.59
LMNA P02545 3/20 0.59
ALOX12 P18054 2/20 0.59
NPY1R P25929 1/20 0.59
NPY2R P49146 1/20 0.59
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL9868180 1.00 MAPT (0.65) MAPTNPSR1GAAKDM4ESMN1; SMN2
SCHEMBL922713 0.84 MAPT (0.81) MAPTNPSR1GAAKDM4ESMN1; SMN2
SCHEMBL922712 0.84 MAPT (0.81) MAPTNPSR1GAAKDM4ESMN1; SMN2
SCHEMBL16291929 0.83 MAPT (0.58) MAPTNPSR1GAAKDM4ESMN1; SMN2
SCHEMBL16291927 0.83 MAPT (0.58) MAPTNPSR1GAAKDM4ESMN1; SMN2
SCHEMBL9868264 0.83 MAPT (0.58) MAPTNPSR1GAAKDM4ESMN1; SMN2
SCHEMBL9868268 0.83 MAPT (0.58) MAPTNPSR1GAAKDM4ESMN1; SMN2
SCHEMBL9865909 0.82 MAPT (0.76) MAPTNPSR1GAASMN1; SMN2HTT
SCHEMBL9868037 0.82 MAPT (0.76) MAPTNPSR1GAASMN1; SMN2HTT
SCHEMBL11197606 0.77 MAPT (0.69) MAPTNPSR1GAAKDM4ESMN1; SMN2

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