SCHEMBL10488676

SCHEMBL10488676

CCOC(=O)c1c(Nc2ccccc2C)n[nH]c1C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
POLB P06746 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.64
PDE4D Q08499 1/20 0.52
HPGD P15428 2/20 0.51
KMT2A Q03164 1/20 0.51
SLC26A6 Q9BXS9 2/20 0.51
GAA P10253 3/20 0.50
AURKA O14965 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.43
CDKN1A P38936 1/20 0.43
EP300 Q09472 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL10488501 0.88 POLB (0.66) MAPTPOLBSMN1; SMN2PDE4DKMT2A
SCHEMBL10488579 0.88 MAPT (0.66) MAPTPOLBSMN1; SMN2PDE4DKMT2A
SCHEMBL10488654 0.86 MAPT (0.78) MAPTPOLBSMN1; SMN2PDE4DHPGD
SCHEMBL10488955 0.85 MAPT (0.64) MAPTPOLBSMN1; SMN2PDE4DHPGD
SCHEMBL10488647 0.85 MAPT (0.57) MAPTPOLBSMN1; SMN2PDE4DHPGD
SCHEMBL10488775 0.84 SMN1; SMN2 (0.70) MAPTPOLBSMN1; SMN2PDE4DHPGD
SCHEMBL10488475 0.83 POLB (0.55) MAPTPOLBSMN1; SMN2PDE4DHPGD
SCHEMBL10488504 0.82 KMT2A (0.57) MAPTPOLBSMN1; SMN2HPGDKMT2A
SCHEMBL10488614 0.81 SMN1; SMN2 (0.56) MAPTPOLBSMN1; SMN2PDE4DKMT2A
SCHEMBL10565068 0.80 SMN1; SMN2 (0.61) MAPTPOLBSMN1; SMN2PDE4DKMT2A

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-4826866-A 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-05-02 US claimed