SCHEMBL10488481

SCHEMBL10488481

CSc1ccccc1Nc1n[nH]c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL10488504 0.86 KMT2A (0.57) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL10515210 0.83 MAPT (0.46) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL10488501 0.83 POLB (0.66) MAPTPOLBSMN1; SMN2KMT2ANPSR1
SCHEMBL10488953 0.81 MAPT (0.56) MAPTPOLBSMN1; SMN2HPGDGAA
SCHEMBL10488592 0.76 SMN1; SMN2 (0.47) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL10488556 0.75 KMT2A (0.59) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL10488500 0.75 NPC1 (0.42) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL10488575 0.73 FTO (0.44) SMN1; SMN2ALDH1A1FTOHTT
SCHEMBL10488910 0.73 PDGFRB (0.42) MAPTPOLBHPGDALOX15TDP1
SCHEMBL10488648 0.73 RAB9A (0.48) MAPTSMN1; SMN2KMT2AMEN1HPGD

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