SCHEMBL4454094

SCHEMBL4454094

C[N+](C)(CCCCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.85
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
MAPK1 P28482 2/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
TP53 P04637 1/20 0.81
HTT P42858 3/20 0.79
PSMD14 O00487 1/20 0.55
HSP90AA1 P07900 1/20 0.55
MMP2 P08253 1/20 0.55
MC4R P32245 1/20 0.55
RAD52 P43351 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CHRM3 P20309 2/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL13326547 1.00 DNM1 (0.85) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL13567366 1.00 DNM1 (0.85) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL12762153 0.98 DNM1 (0.81) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL14937200 0.95 DNM1 (0.81) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL10256395 0.94 DNM1 (0.76) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL25240887 0.92 DNM1 (1.00) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL640153 0.92 DNM1 (1.00) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL10810481 0.92 DNM1 (1.00) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Benzododecinium SCHEMBL153696 0.92 DNM1 (1.00) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8387572 0.92 DNM1 (1.00) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095547-A2 METHOD FOR PREPARING A ZEOLITE OF THE ITH STRUCTURAL TYPE IFP (FR) 2009-08-06 WO claimed
WO-2009095547-A3 METHOD FOR PREPARING A ZEOLITE OF THE ITH STRUCTURAL TYPE IFP (FR) 2009-10-08 WO disclosed
WO-2009095547-A2 METHOD FOR PREPARING A ZEOLITE OF THE ITH STRUCTURAL TYPE IFP (FR) 2009-08-06 WO disclosed
WO-2009095547-A2 METHOD FOR PREPARING A ZEOLITE OF THE ITH STRUCTURAL TYPE IFP (FR) 2009-08-06 WO disclosed
WO-2009095547-A2 METHOD FOR PREPARING A ZEOLITE OF THE ITH STRUCTURAL TYPE IFP (FR) 2009-08-06 WO disclosed