SCHEMBL7760013

SCHEMBL7760013

N#CC(C#N)=CC1=CC=CC[CH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 7/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 7/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 4/20 0.34
THRB P10828 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
NFKB1 P19838 3/20 0.33
BLM P54132 3/20 0.33
PMP22 Q01453 3/20 0.33
TP53 P04637 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL7030034 0.66
SCHEMBL11599069 0.66
SCHEMBL10589393 0.66
SCHEMBL7595387 0.65 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21784422 0.60 KDM4E (0.31) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL743705 0.57
SCHEMBL17466932 0.57 MAPT (1.00) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL8589123 0.54
SCHEMBL20824922 0.54 KMT2A (0.80) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL24158195 0.54

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-1090103-A1 METHOD FOR PRODUCING DETERGENT SHAPED BODIES Henkel Kommanditgesellschaft auf Aktien (DE) 2001-04-11 EP disclosed
WO-2000000582-A1 METHOD FOR PRODUCING DETERGENT SHAPED BODIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-01-06 WO disclosed