SCHEMBL3962079

SCHEMBL3962079

O=c1cnn(-c2ccc(Oc3ccccc3)cc2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.51
IGF1R P08069 2/20 0.51
FGFR1 P11362 2/20 0.51
NTRK2 Q16620 2/20 0.51
NTRK3 Q16288 1/20 0.51
THRB P10828 3/20 0.47
MGLL Q99685 2/20 0.45
NPBWR1 P48145 5/20 0.45
MCHR1 Q99705 3/20 0.45
FAAH O00519 1/20 0.45
P2RX7 Q99572 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6242523 0.85 CNOT7 (0.51) THRBP2RX7SMN1; SMN2NPSR1ALDH1A1
SCHEMBL9741417 0.84 BTK (0.50) THRBMCHR1P2RX7HIF1A
SCHEMBL11452514 0.83 THRB (0.55) NTRK1IGF1RFGFR1NTRK2NTRK3
SCHEMBL11452735 0.82 THRB (0.46) THRB
SCHEMBL11454232 0.81 THRB (0.45) THRBNPBWR1MCHR1P2RX7NPSR1
SCHEMBL9380739 0.79 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11784925 0.78 HTR6 (0.43) THRBP2RX7NPSR1ALDH1A1LMNA
SCHEMBL11452562 0.77 THRB (0.80) THRBP2RX7LMNA
SCHEMBL7909905 0.76 KMT2A (0.58) THRBNPBWR1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL30174384 0.76 THRB (0.46) THRBNPBWR1P2RX7CYP1A2CYP2C9

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-2079715-A1 TRIAZINES AND THEIR USE AS INHIBITORS OF METALLOPROTEINASES TSSCHESCHE, Harald (DE) 2009-07-22 EP disclosed
WO-2008046657-A1 TRIAZINES AND THEIR USE AS INHIBITORS OF METALLOPROTEINASES TSSCHESCHE HARALD (DE) 2008-04-24 WO disclosed