SCHEMBL11840802

SCHEMBL11840802

Cc1coc(C)c1N(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL17438142 0.77 KMT2A (0.51) NPSR1KMT2ATSHRMEN1TRPM8
SCHEMBL9228128 0.75 KMT2A (0.54) NPSR1KMT2ATSHRMEN1TRPM8
SCHEMBL7967005 0.75 NPSR1 (0.44) NPSR1KMT2ATSHRMEN1TRPM8
SCHEMBL11735448 0.73 TRPM8 (0.30) NPSR1TRPM8ALDH1A1
SCHEMBL9784470 0.72 KMT2A (0.51) NPSR1KMT2ATSHRMEN1TRPM8
SCHEMBL6398641 0.71 NPSR1 (0.44) NPSR1KMT2ATSHRMEN1TRPM8
SCHEMBL19778 0.71 NPSR1 (0.70) NPSR1KMT2ATSHRMEN1TRPM8
Methylamine SCHEMBL10655180 0.69 NPSR1 (0.61) NPSR1KMT2ATSHRMEN1TRPM8
SCHEMBL2092543 0.69 TRPM8 (0.51) NPSR1KMT2ATSHRMEN1TRPM8
Bromide SCHEMBL31210017 0.69 NPSR1 (0.67) NPSR1KMT2ATSHRMEN1TRPM8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3978091-A FUNGICIDES, INSECTICIDES, NEMATOCIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-08-31 US claimed
JP-51143657-A None JP disclosed
JP-S51143657-A PROCESS FOR PREPARING 2,4-DIMETHYL-3- CARBOXYANILIDO-FURANS KUMIAI CHEM IND CO LTD 1976-12-10 JP disclosed
US-3978091-A FUNGICIDES, INSECTICIDES, NEMATOCIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-08-31 US disclosed
US-3978091-A FUNGICIDES, INSECTICIDES, NEMATOCIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-08-31 US disclosed