SCHEMBL9752613

SCHEMBL9752613

C=C(Cn1ccccc1=O)Cn1ccccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PSMB5 P28074 2/20 0.45
PSMB1 P20618 2/20 0.43
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10842925 0.86 TSHR (0.50) TSHRPOLBNPSR1PSMB5PSMB1
SCHEMBL9752669 0.81 TSHR (0.57) TSHRPOLBNPSR1PSMB5PSMB1
SCHEMBL1280773 0.79 TSHR (0.56) TSHRPOLBNPSR1PSMB5PSMB1
SCHEMBL11964126 0.78 TSHR (0.54) TSHRPOLBNPSR1PSMB5PSMB1
SCHEMBL11827268 0.78 TSHR (0.54) TSHRPOLBNPSR1PSMB5PSMB1
SCHEMBL4956341 0.78 TSHR (0.54) TSHRPOLBNPSR1PSMB5PSMB1
SCHEMBL6108133 0.76
SCHEMBL8600961 0.76
SCHEMBL9752595 0.75 L3MBTL1 (0.55) TSHRPOLBNPSR1PSMB5PSMB1
SCHEMBL12530443 0.75 TSHR (0.51) TSHRPOLBNPSR1PSMB5PSMB1

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
WO-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO claimed
WO-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed