SCHEMBL9502840

SCHEMBL9502840

O=C(CCl)Nc1cccc(COC(=O)CCl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.54
MITF O75030 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.54
PPARG P37231 2/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
MGLL Q99685 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.44
MAP2K7 O14733 2/20 0.44
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 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
SCHEMBL30115835 0.80 MGLL (0.68) NPSR1POLBMITFALDH1A1HTT
SCHEMBL2636652 0.80 NPSR1 (0.61) NPSR1POLBMITFALDH1A1HTT
SCHEMBL4577008 0.79 NPSR1 (0.54) NPSR1POLBMITFALDH1A1HTT
SCHEMBL11802189 0.79 ALDH1A1 (0.67) NPSR1POLBMITFALDH1A1HTT
SCHEMBL4003071 0.78 MAPT (0.66) NPSR1POLBMITFALDH1A1HTT
SCHEMBL28041453 0.78 NPSR1 (0.59) NPSR1POLBMITFALDH1A1HTT
SCHEMBL4007324 0.77 NPSR1 (0.66) NPSR1POLBMITFALDH1A1HTT
SCHEMBL30802615 0.77 PARP1 (0.69) NPSR1POLBMITFALDH1A1HTT
SCHEMBL29200312 0.77 PARP1 (0.69) NPSR1POLBMITFALDH1A1HTT
SCHEMBL30675594 0.76 NLRP3 (0.62) NPSR1POLBMITFALDH1A1HTT

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
EP-0550574-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992005180-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed