SCHEMBL29031895

SCHEMBL29031895

CC1NC(=O)c2ccccc21.O=c1c2cccc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MAOA P21397 2/20 0.41
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP3 Q9NY33 1/20 0.37
EGFR P00533 1/20 0.37
CYP1A2 P05177 1/20 0.36
PARP1 P09874 2/20 0.35
PBRM1 Q86U86 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
TSHR P16473 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK1 O14757 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1708832 0.80 TNKS2 (0.49) HTR2AHTR2CHTR2BHSD17B10CYP1A2
SCHEMBL19573960 0.80 TNKS2 (0.49) HTR2AHTR2CHTR2BHSD17B10CYP1A2
SCHEMBL31667419 0.80 TNKS2 (0.49) HTR2AHTR2CHTR2BHSD17B10CYP1A2
SCHEMBL29695366 0.80 TNKS2 (0.49) HTR2AHTR2CHTR2BHSD17B10CYP1A2
SCHEMBL19573959 0.80 TNKS2 (0.49) HTR2AHTR2CHTR2BHSD17B10CYP1A2
SCHEMBL27969568 0.71 HTR2A (0.40) HTR2AHTR2CHTR2BHSD17B10CYP1A2
SCHEMBL20012844 0.70 TNKS2 (0.42) MAPTMAOAHTR2AHTR2CHTR2B
SCHEMBL25468883 0.69 MAOA (0.57) MAPTHTTMAOAHSD17B10DPP3
SCHEMBL30342267 0.69 MAOA (0.57) MAPTHTTMAOAHSD17B10DPP3
SCHEMBL29155434 0.67 HTR2A (0.47) HTTHTR2AHTR2CHTR2BHSD17B10

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
CN-116396206-A Isoindolinone compound and preparation method and application thereof 五邑大学 2023-07-07 CN disclosed