SCHEMBL30173602

SCHEMBL30173602

CCOC(=O)c1nc(Cl)ncc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
ALDH1A1 P00352 5/20 0.67
TP53 P04637 2/20 0.67
TLR9 Q9NR96 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
NPC1 O15118 1/20 0.67
XBP1 P17861 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
HSD17B10 Q99714 1/20 0.67
GLP1R P43220 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
TARBP2 Q15633 1/20 0.43
CYP1A2 P05177 2/20 0.42
TDP1 Q9NUW8 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
SCHEMBL16709919 1.00 MAPT (0.67) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL9423230 0.87 ALDH1A1 (0.67) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL21678973 0.87 ALDH1A1 (0.51) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL8395110 0.85 ALDH1A1 (0.50) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL21678987 0.85 ALDH1A1 (0.50) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL21679019 0.84 MAPT (0.49) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL29439663 0.84 ALDH1A1 (0.49) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL16505656 0.84 MAPT (0.49) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL2521639 0.84 ALDH1A1 (0.49) MAPTALDH1A1TP53TLR9NPSR1
SCHEMBL30667736 0.84 MAPT (0.49) MAPTALDH1A1TP53TLR9NPSR1

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
CN-115697972-B Receptor-interacting protein 1 inhibitors including piperazine heterocyclic amide urea 维泰瑞隆有限公司 2024-11-22 CN disclosed
CN-115697972-A Receptor-interacting protein 1 inhibitors comprising piperazine heterocyclic amide ureas 维泰瑞隆有限公司 2023-02-03 CN disclosed