SCHEMBL7369175

SCHEMBL7369175

CCCOc1cccc(-c2cccc(=O)[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
THRB P10828 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAP2K1 Q02750 1/20 0.49
NOTUM Q6P988 1/20 0.49
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
ERN1 O75460 1/20 0.43
MMP1 P03956 2/20 0.42
MMP12 P39900 2/20 0.42
GCK P35557 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL198917 0.79 KDM4E (0.59) MAPTKDM4EKMT2AMEN1TSHR
SCHEMBL9700707 0.78 KDM4E (0.71) MAPTKDM4EGAATHRBTDP1
SCHEMBL7365410 0.77 MAPT (0.42) MAPTKDM4EGAATHRBTDP1
SCHEMBL3349351 0.74 KDM4E (0.49) MAPTKDM4EGAATHRBTDP1
SCHEMBL15473215 0.74 KMT2A (0.57) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL10966475 0.73 CYP1A2 (0.50) MAPTKDM4EGAATHRBTDP1
SCHEMBL9142230 0.73 CLK4 (0.64) MAPTKDM4EGAAKMT2AMEN1
1,3-Dipropoxybenzene SCHEMBL73716 0.73 KMT2A (0.63) MAPTKDM4EKMT2ALMNATSHR
SCHEMBL7410861 0.72 PDE5A (0.47) MAPTKDM4EKMT2AMEN1NOTUM
SCHEMBL10965995 0.71 MAPT (0.72) MAPTKDM4EKMT2AMEN1LMNA

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-0613467-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-09-07 EP disclosed
WO-1993010093-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO disclosed