SCHEMBL31301468

SCHEMBL31301468

[2H]c1cc(Cl)ccc1-c1ccnc(C(=O)N(C)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMO O15229 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MAP4K4 O95819 2/20 0.38
SLC6A3 Q01959 1/20 0.37
CNR1 P21554 2/20 0.37
MALT1 Q9UDY8 1/20 0.36
ATM Q13315 1/20 0.35
MET P08581 1/20 0.34
DYRK1A Q13627 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 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
SCHEMBL31301484 0.91 CNR2 (0.50) CNR2ALDH1A1MAPTL3MBTL1KMO
SCHEMBL4079624 0.80 ALDH1A1 (0.60) CNR2ALDH1A1MAPTL3MBTL1PKM
SCHEMBL24573018 0.78 DYRK1A (0.53) CNR2ALDH1A1MAPTL3MBTL1PKM
SCHEMBL31301535 0.73 CNR2 (0.51) CNR2ALDH1A1MAPTL3MBTL1KMO
SCHEMBL16423483 0.73 EGLN1 (0.49) ALDH1A1MAPTPKMRAB9AMAP4K4
SCHEMBL7083266 0.72 ALDH1A1 (0.40) CNR2ALDH1A1MAPTL3MBTL1PKM
SCHEMBL27237665 0.71 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1KMOPKM
SCHEMBL31191397 0.71 ALDH1A1 (0.54) CNR2ALDH1A1MAPTL3MBTL1DYRK1A
SCHEMBL1724415 0.71 ALDH1A1 (0.54) CNR2ALDH1A1MAPTL3MBTL1DYRK1A
SCHEMBL3735815 0.71 CLK1 (0.48) ALDH1A1MAPTL3MBTL1PKMRAB9A

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-4727549-A2 PLASMODIUM FALCIPARUM BLOOD STAGE INHIBITORS University of Georgia Research Foundation, Inc. (US) 2026-04-22 EP disclosed
WO-2024258900-A2 PLASMODIUM FALCIPARUM BLOOD STAGE INHIBITORS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2024-12-19 WO disclosed