SCHEMBL2550818

SCHEMBL2550818

O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCL2A1 Q16548 1/20 0.44
PKM P14618 1/20 0.44
RAD51 Q06609 1/20 0.44
NR1H2 P55055 4/20 0.44
PGR P06401 1/20 0.43
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL15197568 0.81 MGLL (0.57) MGLLMEN1KMT2AL3MBTL1NR1H2
SCHEMBL11211240 0.78 MGLL (0.63) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL2558219 0.78 MGLL (0.53) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL2549717 0.76 MEN1 (0.73) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL10824922 0.73 KMT2A (0.58) MGLLMEN1KMT2APOLBCASP1
SCHEMBL2550420 0.72 HSPA1A (0.52) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL15437831 0.72 MGLL (0.55) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL29644716 0.72 MGLL (0.55) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL3979412 0.70 KMT2A (0.60) MGLLMEN1KMT2APOLBNR1H2
SCHEMBL28348424 0.70 MGLL (0.53) MGLLMEN1KMT2AALDH1A1MAPT

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
WO-2011121062-A1 COMPOSITION FOR THE TREATMENT OF PERIODONTITIS AND OTHER INFLAMMATORY INFECTIOUS DISEASES VOCKNER HELMUT (AT) 2011-10-06 WO disclosed