SCHEMBL4743413

SCHEMBL4743413

O=C(O)NCc1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
POLB P06746 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
KDM4A O75164 1/20 0.50
KDM4B O94953 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
SCHEMBL243740 0.85 SMN1; SMN2 (0.76) SMN1; SMN2POLBL3MBTL1HPGDALOX15
SCHEMBL30602600 0.85 SMN1; SMN2 (0.76) SMN1; SMN2POLBL3MBTL1HPGDALOX15
SCHEMBL3314110 0.85 L3MBTL1 (0.62) SMN1; SMN2POLBL3MBTL1ALOX15ALDH1A1
SCHEMBL29860055 0.85 L3MBTL1 (0.62) SMN1; SMN2POLBL3MBTL1ALOX15ALDH1A1
SCHEMBL4744580 0.85 RAB9A (0.77) SMN1; SMN2POLBL3MBTL1HPGDALOX15
Hydrochloric Acid SCHEMBL7607595 0.84 SMN1; SMN2 (0.73) SMN1; SMN2POLBL3MBTL1HPGDALOX15
SCHEMBL2947235 0.84 ALDH1A1 (0.63) SMN1; SMN2POLBL3MBTL1HPGDALOX15
SCHEMBL22175599 0.81 SMN1; SMN2 (0.56) SMN1; SMN2POLBL3MBTL1HPGDNPC1
SCHEMBL5892980 0.81 NPC1 (0.55) SMN1; SMN2POLBL3MBTL1NPC1RAB9A
SCHEMBL3316286 0.81 L3MBTL1 (0.55) SMN1; SMN2POLBL3MBTL1HPGDALOX15

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-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed