SCHEMBL7199028

SCHEMBL7199028

N#CC(C(=O)c1c(Cl)cc(Cl)c(Cl)c1Cl)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAPGEF3 O95398 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
LMNA P02545 3/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
TRPA1 O75762 1/20 0.33
CTSB P07858 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7202579 0.88 TSHR (0.42) S1PR3TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL7203037 0.86 TSHR (0.41) S1PR3TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL7202991 0.73 LMNA (0.43) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL5505530 0.72 L3MBTL1 (0.61) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL7202862 0.72 L3MBTL1 (0.55) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL7196088 0.72 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL19926126 0.72 CES2 (0.47) S1PR3TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL7196084 0.72 LMNA (0.42) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL19926137 0.72 KMT2A (0.50) TDP1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL7200938 0.71 TDP1 (0.50) TSHRTDP1L3MBTL1ALDH1A1MAPT

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-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed