SCHEMBL11287633

SCHEMBL11287633

Cc1cccc(C)c1N(CC(=O)O)C(=O)CSC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
GPR139 Q6DWJ6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
PLA2G1B P04054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
EGFR P00533 2/20 0.34
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALOX12 P18054 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL11296934 0.90 KMT2A (0.50) KMT2AALDH1A1MAPTGPR139L3MBTL1
SCHEMBL11276183 0.87 KMT2A (0.48) KMT2AALDH1A1MAPTGPR139L3MBTL1
SCHEMBL11292441 0.85 KMT2A (0.46) KMT2AALDH1A1MAPTGPR139L3MBTL1
SCHEMBL11494654 0.85 KMT2A (0.46) KMT2AALDH1A1MAPTGPR139L3MBTL1
SCHEMBL11290774 0.82 ALDH1A1 (0.36) KMT2AALDH1A1HTTMEN1PLA2G1B
SCHEMBL11298078 0.82 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1HSD17B10OPRM1
SCHEMBL11289135 0.81 OPRM1 (0.39) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL11291159 0.81 CTNNB1 (0.40) KMT2AALDH1A1MAPTL3MBTL1HTT
SCHEMBL11294511 0.81 ALDH1A1 (0.33) KMT2AALDH1A1MAPTHTTMEN1
SCHEMBL11294514 0.80 ALDH1A1 (0.32) KMT2AALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014167-B1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1982-06-30 EP disclosed
EP-0014167-A1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1980-08-06 EP disclosed