SCHEMBL9529109

SCHEMBL9529109

CN(C)C=CC(=O)c1cccc(Sc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.66
MAPT P10636 10/20 0.60
ALDH1A1 P00352 9/20 0.60
HTT P42858 5/20 0.60
HPGD P15428 4/20 0.60
GAA P10253 3/20 0.60
RAB9A P51151 4/20 0.55
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HSP90AA1 P07900 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 4/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALOX12 P18054 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PLIN1 O60240 1/20 0.44
PLIN5 Q00G26 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44

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
SCHEMBL5946453 0.82 MAPT (0.77) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL29176317 0.81 RECQL (1.00) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL425338 0.81 RECQL (1.00) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL446006 0.81 RECQL (1.00) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL5800440 0.80 RECQL (0.71) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL22449502 0.80 RECQL (0.71) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL12685619 0.78 MAPT (0.67) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL1449217 0.77 RECQL (0.66) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL14063274 0.77 RECQL (0.66) RECQLMAPTALDH1A1HTTHPGD
SCHEMBL12742903 0.77 RECQL (0.66) RECQLMAPTALDH1A1HTTHPGD

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-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed