SCHEMBL3454285

SCHEMBL3454285

Nc1ccc(C(=O)NNC(=O)c2cccnc2Oc2cccc(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
GAA P10253 2/20 0.61
POLB P06746 1/20 0.61
RAB9A P51151 1/20 0.46
PTGER4 P35408 1/20 0.45
MAPK8 P45983 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL3455841 0.81 KMT2A (0.58) ALDH1A1GAARAB9AMAPTKMT2A
SCHEMBL5215442 0.79 ALDH1A1 (0.62) ALDH1A1GAAPOLBMAPK8KDM4E
SCHEMBL7364681 0.79 RAB9A (0.72) ALDH1A1GAAPOLBRAB9AMAPK8
SCHEMBL10971064 0.77 ALDH1A1 (0.72) ALDH1A1GAAPOLBMAPK8MAPT
SCHEMBL11247603 0.77 NPC1 (0.63) ALDH1A1GAAPOLBRAB9AKDM4E
SCHEMBL2332693 0.77 ALDH1A1 (0.61) ALDH1A1GAAPOLBRAB9APTGER4
SCHEMBL7674124 0.77 ALDH1A1 (0.58) ALDH1A1GAAPOLBRAB9APTGER4
SCHEMBL5214807 0.77 ALDH1A1 (0.65) ALDH1A1GAAPOLBRAB9AMAPK8
SCHEMBL10969124 0.75 P2RY1 (0.60) ALDH1A1GAAPOLBKDM4EMEN1
SCHEMBL10971738 0.75 KMT2A (0.75) ALDH1A1GAAPOLBKDM4EMEN1

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed