SCHEMBL12620187

SCHEMBL12620187

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 11/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 4/20 0.53
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
ESR1 P03372 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50

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
SCHEMBL15889879 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5430921 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5438679 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5428244 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5432019 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL15889882 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL15889881 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5425361 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL15889880 1.00 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL15889883 1.00 DNM1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114845980-A Dimer-selective metallocene catalyst, non-aromatic hydrocarbon soluble activator and method for preparing poly alpha-olefin oligomer using the same 埃克森美孚化学专利公司 2022-08-02 CN disclosed
US-7939470-B1 Invert emulsion drilling fluids comprising quaternary ammonium emulsifiers and argillaceous solids and methods of drilling boreholes HALLIBURTON ENERGY SERVICES INC. (US) 2011-05-10 US disclosed