SCHEMBL10488641

SCHEMBL10488641

COc1ccc(Nc2n[nH]c(C)c2C(=O)O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
SHMT2 P34897 1/20 0.53
CSNK2A1 P68400 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALPL P05186 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL10488832 0.86 MAPT (0.61) MAPTGAAKDM4EPKMSHMT2
SCHEMBL10488595 0.84 MAPT (0.57) MAPTGAAKDM4EPKMCSNK2A1
SCHEMBL9006219 0.81 GAA (0.62) MAPTGAAPKMALDH1A1NPC1
SCHEMBL10488556 0.76 KMT2A (0.59) MAPTGAAALDH1A1ALPLMEN1
SCHEMBL10488648 0.73 RAB9A (0.48) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL10488910 0.73 PDGFRB (0.42) MAPTGAAKDM4EALDH1A1ALPL
SCHEMBL10488504 0.72 KMT2A (0.57) MAPTCSNK2A1ALDH1A1MEN1KMT2A
SCHEMBL8834053 0.72 AKR1C3 (0.63) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL1961624 0.71 AKR1C3 (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5833241 0.71 ALDH1A1 (0.73) MAPTGAAKDM4EALDH1A1MEN1

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
US-4871737-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) 1989-10-03 US disclosed
EP-0315433-A2 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A.H. ROBINS COMPANY, INCORPORATED (US) 1989-05-10 EP disclosed
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 disclosed