SCHEMBL2901392

SCHEMBL2901392

COc1ccc(C(N)(CNCC(C)C)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 1/20 0.40
HPGD P15428 2/20 0.39
AOC3 Q16853 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL2898049 0.85 ALDH1A1 (0.35) KMT2AHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2897917 0.79 MAOA (0.42) MAOAMAOBMEN1KMT2ASLC6A4
SCHEMBL2900188 0.79 CYP1A2 (0.39) MEN1KMT2AAOC3ALDH1A1MAPT
SCHEMBL2900357 0.74 HTT (0.58) MEN1KMT2ALMNAHTTNPSR1
SCHEMBL23367774 0.72 ANPEP (0.58) SLC6A4LMNAHTTNPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL30945857 0.70 ANPEP (0.56) SLC6A4LMNAHTTNPSR1SMN1; SMN2
SCHEMBL1465852 0.70 CA1 (0.50) MAOBAOC3CA1CA2LMNA
SCHEMBL23374681 0.69 SMN1; SMN2 (0.63) MEN1KMT2ACA1CA2HTT
SCHEMBL30277724 0.69 KIF11 (0.49) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL637387 0.68 SLC6A4 (0.44) MAOAMAOBSLC6A4AOC3CA1

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-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP disclosed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO disclosed