SCHEMBL9535795

SCHEMBL9535795

CCOCCn1c(CC2CCN(CCNC(=O)c3nccs3)CC2)nc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.45
TP53 P04637 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 7/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL10382566 0.85 SLC6A9 (0.46) SLC6A9TP53MEN1KMT2AHRH1
SCHEMBL9539181 0.85 SLC6A9 (0.43) SLC6A9TP53MEN1KMT2ASLC6A2
SCHEMBL9539478 0.84 TP53 (0.44) SLC6A9TP53MEN1KMT2ASLC6A2
SCHEMBL9535297 0.83 SLC6A9 (0.47) SLC6A9TP53MEN1KMT2ASLC6A2
Oxalic Acid SCHEMBL10383154 0.82 TP53 (0.44) SLC6A9TP53MEN1KMT2ASLC6A2
Oxalic Acid SCHEMBL9535399 0.82 SLC6A9 (0.47) SLC6A9TP53MEN1KMT2AHRH1
Oxalic Acid SCHEMBL9535391 0.82 SLC6A9 (0.47) SLC6A9TP53MEN1KMT2AHRH1
SCHEMBL9535554 0.79 SLC6A9 (0.52) SLC6A9MEN1KMT2AHRH1KDM4E
Oxalic Acid SCHEMBL9535426 0.79 SLC6A9 (0.49) SLC6A9TP53MEN1KMT2AHRH1
Oxalic Acid SCHEMBL9535422 0.79 SLC6A9 (0.49) SLC6A9TP53MEN1KMT2AHRH1

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 3 patents. 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
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed