SCHEMBL9237199

SCHEMBL9237199

CCOC(=O)CCCCn1c(C)c(-c2cccnc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.58
GAA P10253 1/20 0.52
CTNNB1 P35222 1/20 0.51
TNF P01375 1/20 0.49
FAAH O00519 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
PSEN1 P49768 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
SCHEMBL8544033 0.87 TBXAS1 (0.74) TBXAS1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL11074372 0.86 TBXAS1 (0.78) TBXAS1CTNNB1TNFFAAHMEN1
SCHEMBL9282505 0.83 TBXAS1 (0.51) TBXAS1GAACTNNB1MEN1KMT2A
SCHEMBL12938925 0.79 TNF (0.64) CTNNB1TNFCNR1CNR2KDM4E
SCHEMBL1004476 0.78 TNF (0.63) CTNNB1TNFFAAHCNR1CNR2
SCHEMBL1004093 0.78 TNF (0.63) CTNNB1TNFFAAHCNR1CNR2
SCHEMBL10984266 0.78 TBXAS1 (0.60) TBXAS1CTNNB1TNFFAAHMEN1
SCHEMBL11067365 0.76 TBXAS1 (0.79) TBXAS1FAAH
SCHEMBL11010003 0.76 TBXAS1 (0.79) TBXAS1FAAH
SCHEMBL355499 0.75 TNF (0.62) CTNNB1TNFFAAHCNR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643059-A1 3-(3-Pyridinyl)-1H-indoles as thromboxane A2 synthetase inhibitors Pfizer Limited (GB) 1995-03-15 EP disclosed