SCHEMBL7653115

SCHEMBL7653115

Cc1ccc2[nH]c(=O)n(C(C)(C)C(=O)OCC(=O)c3ccccc3)c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.42
PIM1 P11309 1/20 0.38
KMT2A Q03164 4/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
PSMD14 O00487 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL7650012 0.89 MPO (0.44) SMN1; SMN2POLBKDM4EL3MBTL1MAPT
SCHEMBL7652031 0.89 CA12 (0.44) SMN1; SMN2POLBKDM4EL3MBTL1MAPT
SCHEMBL7655615 0.88 SMN1; SMN2 (0.45) SMN1; SMN2POLBKDM4EL3MBTL1RAB9A
SCHEMBL7648323 0.86 SMN1; SMN2 (0.41) SMN1; SMN2POLBKDM4EL3MBTL1RAB9A
SCHEMBL7650322 0.85 SMN1; SMN2 (0.40) SMN1; SMN2POLBKDM4EL3MBTL1RAB9A
SCHEMBL7649595 0.84 KDM4E (0.47) SMN1; SMN2KDM4ERAB9ANPC1MAPT
SCHEMBL7649499 0.82 CA9 (0.45) SMN1; SMN2POLBKDM4EL3MBTL1RAB9A
SCHEMBL10084842 0.80 KDM4E (0.42) POLBKDM4ENPC1MAPTKMT2A
SCHEMBL8133826 0.78 KDM4E (0.45) SMN1; SMN2POLBKDM4ERAB9ANPC1
SCHEMBL7648338 0.77 FEN1 (0.45) SMN1; SMN2POLBKDM4EL3MBTL1RAB9A

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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed