SCHEMBL3717656

SCHEMBL3717656

CCOC(=O)Cc1cc(-c2cccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3Cl)c2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.32
MAPT P10636 2/20 0.32
SLC26A6 Q9BXS9 1/20 0.32
SCN9A Q15858 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.31
SLC2A2 P11168 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3715785 0.95 HPGD (0.34) KMT2AGAATSHRHSD17B10HPGD
SCHEMBL3707177 0.94 LPAR1 (0.34) HPGDSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL2338259 0.89 LPAR1 (0.39) HPGDSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL3709586 0.88 LPAR1 (0.38) HPGDSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3713874 0.88 L3MBTL1 (0.37) KMT2AGAATSHRHSD17B10SMN1; SMN2
SCHEMBL3704850 0.88 GPBAR1 (0.34) TSHRHPGDALDH1A1POLBHTT
SCHEMBL3707844 0.88 L3MBTL1 (0.38) SMN1; SMN2ALDH1A1HTTMAPTRAB9A
SCHEMBL3712011 0.85 PKM (0.43) KMT2ATSHRHPGDSMN1; SMN2KDM4E
SCHEMBL2338062 0.85 LPAR1 (0.38) HPGDSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL2334024 0.85 L3MBTL1 (0.38) KMT2AGAATSHRHSD17B10HPGD

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed