SCHEMBL7651932

SCHEMBL7651932

CCOC(=O)C(C)(C)n1c(=O)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.51
MPO P05164 4/20 0.46
XDH P47989 1/20 0.46
DDR1 Q08345 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GALR2 O43603 1/20 0.41
HTT P42858 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL7649595 0.88 KDM4E (0.47) DDR1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7651842 0.86 CA12 (0.51) MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7649684 0.86 CA12 (0.51) DDR1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7651849 0.85 MPO (0.38) MPOXDHKMT2ALMNAMAPT
SCHEMBL7650012 0.84 MPO (0.44) FEN1MPOXDHKMT2AMAPT
SCHEMBL7652236 0.83 SMN1; SMN2 (0.55) FEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7650104 0.82 FEN1 (0.58) FEN1MPOXDHDDR1KMT2A
SCHEMBL7657940 0.82 CA12 (0.55) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL7651738 0.82 SMN1; SMN2 (0.43) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7653151 0.81 KDM4E (0.44) KMT2ALMNAMAPTSMN1; SMN2MEN1

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