SCHEMBL8723574

SCHEMBL8723574

CCC(C(=O)O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ELOVL1 Q9BW60 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
APAF1 O14727 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EDNRB P24530 1/20 0.32

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
SCHEMBL8720494 0.87 GAA (0.39) SMN1; SMN2ALDH1A1MEN1CYP1A2CYP2C9
Phosphonic Acid SCHEMBL9360448 0.79 LMNA (0.35) LMNA
Phosphonic Acid SCHEMBL9540536 0.78
Phosphonic Acid SCHEMBL9542029 0.78
Phosphonic Acid SCHEMBL9540518 0.76
Phosphonic Acid SCHEMBL9356546 0.76
SCHEMBL9360442 0.75
Phosphonic Acid SCHEMBL8387676 0.75
Phosphonic Acid SCHEMBL9543150 0.75
SCHEMBL8386864 0.75 CYP11B1 (0.31)

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-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed