SCHEMBL9682296

SCHEMBL9682296

N#CCN(CCN(CC#N)Cc1nccc(OCc2ccccc2)c1OCc1ccccc1)Cc1nccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.38
LTA4H P09960 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAOB P27338 1/20 0.35
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL9683651 0.78 MEN1 (0.38) LTA4HMAPK14MEN1KMT2A
SCHEMBL9701005 0.75 HTR1A (0.38) BCHELTA4HMAPK14
SCHEMBL4898090 0.73 LTA4H (0.45) LTA4HMAPK14ATP4AATP4BCYP1A2
SCHEMBL9654512 0.73 LTA4H (0.45) LTA4HMAPK14MAPK1
SCHEMBL9682298 0.72 GRM2 (0.34) BCHELTA4HMAPK14ATP4AATP4B
Hydrochloric Acid SCHEMBL9683438 0.72 LTA4H (0.44) LTA4HMAPK14MEN1MAPK1KMT2A
SCHEMBL9683448 0.71 LTA4H (0.35) LTA4HMAOBMEN1CYP2D6KMT2A
SCHEMBL9681836 0.70 LMNA (0.47) BCHELTA4HMAPK14MEN1KMT2A
SCHEMBL9683450 0.69 LMNA (0.49) BCHELTA4HMAPK14MEN1KMT2A
SCHEMBL4159575 0.68 ABCB1 (0.51) BCHELTA4HMAOBMEN1KMT2A

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
WO-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP disclosed