SCHEMBL2900357

SCHEMBL2900357

COc1ccc(C(N)(CNCc2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ATM Q13315 1/20 0.50
BCHE P06276 1/20 0.49
LTA4H P09960 1/20 0.47
RAB9A P51151 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL2891401 0.88 HTT (0.46) HTTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL6094081 0.80 HTT (0.53) HTTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1279045 0.79 HTT (0.73) HTTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL2182266 0.77 HTT (0.71) HTTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL17964410 0.77 LTA4H (0.53) HTTLMNASMN1; SMN2ALDH1A1LTA4H
SCHEMBL30277724 0.76 KIF11 (0.49) HTTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9229255 0.76 APLNR (0.63) NPSR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8931146 0.76 HIF1A (0.48) HTTSMN1; SMN2ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL8931145 0.75 APLNR (0.61) LMNASMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL2901392 0.74 MAOA (0.40) HTTLMNASMN1; SMN2NPSR1ALDH1A1

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