SCHEMBL2323596

SCHEMBL2323596

O=[C]c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC8 Q9BY41 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
MAOA P21397 1/20 0.47
CHRM2 P08172 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL10054993 0.82 MEN1 (0.74) BCHEMEN1KMT2ATDP1HDAC8
SCHEMBL4776331 0.80 CALM1 (0.57) CA1CA2
SCHEMBL5150258 0.80 FFAR1 (0.50) TDP1MAOASMN1; SMN2HDAC1
SCHEMBL8897410 0.79 LOXL2 (0.61) BCHEMEN1KMT2ATDP1CA1
Benzene SCHEMBL11697595 0.79 MEN1 (0.78) BCHEMEN1KMT2ATDP1ADH1B
SCHEMBL1654 0.79 MEN1 (0.78) BCHEMEN1KMT2ATDP1ADH1B
SCHEMBL5799878 0.79 MEN1 (0.78) BCHEMEN1KMT2ATDP1ADH1B
SCHEMBL21550054 0.77 MEN1 (0.74) BCHEMEN1KMT2ATDP1ADH1B
Ammonia Solution, Strong SCHEMBL2064651 0.77 MEN1 (0.74) BCHEMEN1KMT2ATDP1ADH1B
Hydrochloric Acid SCHEMBL1862144 0.77 MEN1 (0.74) BCHEMEN1KMT2ATDP1CA1

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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed