SCHEMBL29185083

SCHEMBL29185083

CCOC(=O)c1ccnn1-c1ncccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD11B1 P28845 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP2C19 P33261 1/20 0.39
ELANE P08246 1/20 0.39
PDE4A P27815 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
GCK P35557 2/20 0.38

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
SCHEMBL27899576 0.85 F2 (0.46) ALDH1A1KDM4ECYP2C19ELANEL3MBTL1
SCHEMBL28278766 0.84 CYP3A4 (0.40) ALDH1A1MAPTMAPK1TDP1KMT2A
SCHEMBL9682074 0.83 PDE4B (0.48) PDE4BALDH1A1NPC1RAB9AKDM4E
SCHEMBL951462 0.82 SMN1; SMN2 (0.52) PDE4BALDH1A1HSD11B1NPC1RAB9A
SCHEMBL29558577 0.82 ALDH1A1 (0.48) PDE4BALDH1A1HSD11B1NPC1RAB9A
SCHEMBL1762446 0.82 ALDH1A1 (0.48) PDE4BALDH1A1HSD11B1NPC1RAB9A
SCHEMBL29860005 0.81 ALDH1A1 (0.47) PDE4BALDH1A1HSD11B1NPC1RAB9A
SCHEMBL950958 0.81 ALDH1A1 (0.47) PDE4BALDH1A1HSD11B1NPC1RAB9A
SCHEMBL31060067 0.81 ALDH1A1 (0.47) PDE4BALDH1A1HSD11B1NPC1RAB9A
SCHEMBL44859 0.81 ALDH1A1 (0.47) PDE4BALDH1A1HSD11B1NPC1RAB9A

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
CN-117813006-A Methods for controlling diamide-resistant pests and compounds thereof 先正达农作物保护股份公司 2024-04-02 CN disclosed