SCHEMBL9539478

SCHEMBL9539478

CCOCCn1c(CC2CCN(CCNC(=O)c3ccoc3)CC2)nc2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.44
SLC6A9 P48067 2/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH1 P35367 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CCR3 P51677 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Oxalic Acid SCHEMBL10383154 0.98 TP53 (0.44) TP53SLC6A9MAPTMEN1KMT2A
Oxalic Acid SCHEMBL9635944 0.87 SLC6A9 (0.54) TP53SLC6A9MAPTMEN1KMT2A
Oxalic Acid SCHEMBL9635939 0.87 SLC6A9 (0.54) TP53SLC6A9MAPTMEN1KMT2A
Oxalic Acid SCHEMBL9539297 0.85 TP53 (0.44) TP53SLC6A9MAPTPOLBTDP1
Oxalic Acid SCHEMBL9539300 0.85 TP53 (0.44) TP53SLC6A9MAPTPOLBTDP1
SCHEMBL9539181 0.84 SLC6A9 (0.43) TP53SLC6A9MAPTMEN1KMT2A
SCHEMBL9535795 0.84 SLC6A9 (0.45) TP53SLC6A9MAPTMEN1KMT2A
SCHEMBL9537640 0.84 TP53 (0.55) TP53SLC6A9MAPTPOLBLMNA
SCHEMBL9535297 0.83 SLC6A9 (0.47) TP53SLC6A9MEN1KMT2ASLC6A2
Oxalic Acid SCHEMBL9535399 0.81 SLC6A9 (0.47) TP53SLC6A9MAPTMEN1KMT2A

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-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed