SCHEMBL31154089

SCHEMBL31154089

[2H]c1nn(C)c(=O)c(-c2c(C)ccc3ccccc23)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPBWR1 P48145 1/20 0.40
▸ HSD11B1 P28845 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KAT2B Q92831 3/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BPTF Q12830 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL28920891 0.87 NPC1 (0.48) SMN1; SMN2NPC1RAB9ANPBWR1HSD11B1
SCHEMBL21835458 0.76 HSD11B1 (0.38) SMN1; SMN2NPC1RAB9ANPBWR1HSD11B1
SCHEMBL29383185 0.76 HSD11B1 (0.38) SMN1; SMN2NPC1RAB9ANPBWR1HSD11B1
SCHEMBL21835475 0.74 MAPT (0.45) SMN1; SMN2NPC1RAB9ANPBWR1HSD11B1
SCHEMBL29384915 0.74 MAPT (0.45) SMN1; SMN2NPC1RAB9ANPBWR1HSD11B1
SCHEMBL25202984 0.74 HPGD (0.38) SMN1; SMN2NPC1RAB9AHSD11B1MAPT
SCHEMBL28612147 0.73 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9ANPBWR1MAPT
SCHEMBL21835554 0.72 RAB9A (0.41) SMN1; SMN2NPC1RAB9ANPBWR1HSD11B1
SCHEMBL21835495 0.72 NPBWR1 (0.41) SMN1; SMN2NPC1RAB9ANPBWR1HSD11B1
SCHEMBL29383170 0.72 RAB9A (0.41) SMN1; SMN2NPC1RAB9ANPBWR1HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039233-A Pyridazinone herbicides and pyridazinone intermediates for preparing the same FMC公司 2024-11-29 — — CN disclosed
CN-118994028-A Pyridazinone herbicides and pyridazinone intermediates for preparing the same FMC公司 2024-11-22 — — CN disclosed
CN-113166075-B Pyridazinone herbicides and pyridazinone intermediates for preparing the same FMC公司 2024-10-25 — — CN disclosed
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