SCHEMBL7103424

SCHEMBL7103424

N#Cc1ccccc1COCCn1cnc2cnc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALKBH1 Q13686 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LRRK2 Q5S007 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL6105625 0.83 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMAPK1KMT2AALDH1A1
SCHEMBL6699766 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AALDH1A1HPGD
SCHEMBL6107128 0.78 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPK1KMT2AALDH1A1
SCHEMBL15924842 0.74 LMNA (0.46) SMN1; SMN2LMNAMAPK1KMT2APOLB
SCHEMBL6696791 0.73 AGXT (0.40) SMN1; SMN2LMNAKMT2APOLBMEN1
SCHEMBL6700111 0.73 MAPK1 (0.40) SMN1; SMN2LMNAMAPK1KMT2AALDH1A1
SCHEMBL1893306 0.73 KMT2A (0.47) SMN1; SMN2LMNAMAPK1KMT2AALDH1A1
Water SCHEMBL29438456 0.73 DPP4 (0.45) SMN1; SMN2LMNAKMT2AALDH1A1POLB
Water SCHEMBL22718534 0.73 DPP4 (0.45) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL6108037 0.72 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPK1KMT2AALDH1A1

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-1341789-A2 ARYL ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
WO-2002046189-A2 ARYL ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed