SCHEMBL7901219

SCHEMBL7901219

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

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MCL1 Q07820 4/20 0.55
GABRA1 P14867 2/20 0.53
GABRB2 P47870 2/20 0.53
MDM2 Q00987 1/20 0.52
MARS1 P56192 3/20 0.52
GRN P28799 2/20 0.50
SORT1 Q99523 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49

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
SCHEMBL7910944 0.87 MAPT (0.80) MAPTSMN1; SMN2POLBTDP1MCL1
SCHEMBL27687138 0.86 SMN1; SMN2 (0.69) MAPTSMN1; SMN2POLBTDP1MARS1
SCHEMBL4688360 0.84 MCL1 (0.56) SMN1; SMN2POLBMCL1GABRA1GABRB2
SCHEMBL8543208 0.83 GABRA1 (0.51) MAPTSMN1; SMN2POLBTDP1MCL1
SCHEMBL27687135 0.83 MARS1 (0.65) MAPTSMN1; SMN2POLBTDP1MARS1
SCHEMBL8889722 0.81 MAPT (0.70) MAPTSMN1; SMN2POLBTDP1MARS1
SCHEMBL8589911 0.81 SMN1; SMN2 (0.54) MAPTSMN1; SMN2POLBTDP1MARS1
SCHEMBL4689814 0.79 GRN (0.64) MAPTSMN1; SMN2POLBTDP1MARS1
SCHEMBL2828470 0.76 FFAR1 (0.62) MDM2
SCHEMBL2830042 0.75 FFAR1 (0.61) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
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