SCHEMBL6908838

SCHEMBL6908838

CCCCCCCCCCCCCCCC[n+]1ccc(C(=O)NCCCCNC(=O)c2cc[n+](CCCCCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 2/20 0.60
APAF1 O14727 1/20 0.60
RGS12 O14924 1/20 0.60
HSP90AA1 P07900 1/20 0.60
MLYCD O95822 1/20 0.58
CA2 P00918 1/20 0.57
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL6904930 1.00 NAAA (0.67) NAAAL3MBTL1MEN1KMT2AMAPK1
Bromide SCHEMBL2037725 0.98 NAAA (0.65) NAAAL3MBTL1MEN1KMT2AMAPK1
Bromide SCHEMBL8915380 0.98 NAAA (0.65) NAAAL3MBTL1MEN1KMT2AMAPK1
Bromide SCHEMBL6909168 0.98 NAAA (0.65) NAAAL3MBTL1MEN1KMT2AMAPK1
Bromide SCHEMBL305573 0.98 NAAA (0.65) NAAAL3MBTL1MEN1KMT2AMAPK1
Acetic Acid SCHEMBL6517089 0.94 NAAA (0.60) NAAAL3MBTL1MEN1KMT2AMAPK1
Bromide SCHEMBL29403572 0.94 MEN1 (0.60) NAAAL3MBTL1MEN1KMT2AMAPK1
SCHEMBL6729786 0.86 NAAA (0.51) NAAAL3MBTL1MEN1KMT2AMAPK1
SCHEMBL9265536 0.85 L3MBTL1 (0.86) NAAAL3MBTL1MEN1KMT2AMAPK1
SCHEMBL9504178 0.85 L3MBTL1 (0.86) NAAAL3MBTL1MEN1KMT2AMAPK1

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-0998851-B1 Antibacterial and antifungal resin composition INUI CORP (JP) 2004-01-28 EP claimed