SCHEMBL7910944

SCHEMBL7910944

CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nn1Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.80
SMN1; SMN2 Q16637 2/20 0.79
POLB P06746 2/20 0.79
TDP1 Q9NUW8 5/20 0.78
L3MBTL1 Q9Y468 3/20 0.56
RAB9A P51151 2/20 0.56
CFTR P13569 1/20 0.52
ALDH1A1 P00352 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
PPARG P37231 1/20 0.48
FAAH O00519 1/20 0.48
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4692188 0.87 MAPT (0.61) MAPTSMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL7901219 0.87 MAPT (0.59) MAPTSMN1; SMN2POLBTDP1PTGDR2
SCHEMBL4682703 0.86 MAPT (0.79) MAPTSMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL14144797 0.84 SMN1; SMN2 (0.81) MAPTSMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL4682094 0.83 SMN1; SMN2 (0.79) MAPTSMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL8543208 0.78 GABRA1 (0.51) MAPTSMN1; SMN2POLBTDP1PTGDR2
SCHEMBL6335193 0.78 SMN1; SMN2 (0.79) MAPTSMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL4006702 0.78 SMN1; SMN2 (0.74) MAPTSMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL4682039 0.76 MAPT (0.76) MAPTSMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL4688360 0.76 MCL1 (0.56) SMN1; SMN2POLBL3MBTL1RAB9AGABRA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed