SCHEMBL4737582

SCHEMBL4737582

COC(=O)c1cc(Cl)ccc1NC(=O)C(Br)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL420909 0.80 NPSR1 (0.56) ALDH1A1NPSR1GAALMNAMAPT
SCHEMBL3708748 0.80 KDM4E (0.58) ALDH1A1GAATDP1KDM4EHSD17B10
SCHEMBL4735942 0.79 HTT (0.52) ALDH1A1NPSR1L3MBTL1GAATDP1
SCHEMBL1800967 0.79 CRHBP (0.46) ALDH1A1NPSR1L3MBTL1GAATDP1
SCHEMBL418724 0.77 ALDH1A1 (0.52) ALDH1A1NPSR1L3MBTL1GAALMNA
SCHEMBL3862767 0.76 ALDH1A1 (0.54) ALDH1A1NPSR1L3MBTL1TDP1LMNA
SCHEMBL3784326 0.75 KDM4E (0.62) ALDH1A1NPSR1GAAMAPTKDM4E
SCHEMBL8037969 0.75 ALDH1A1 (0.46) ALDH1A1NPSR1L3MBTL1TDP1TSHR
SCHEMBL5928677 0.75 KDM4E (0.71) ALDH1A1NPSR1GAALMNAMAPT
SCHEMBL8784216 0.75 ALDH1A1 (0.53) ALDH1A1NPSR1L3MBTL1GAATDP1

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-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed