SCHEMBL30576368

SCHEMBL30576368

COc1nn(C)c(=O)c(-c2c(C)c(C)cc3ccccc23)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 3/20 0.36
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ SMN1; SMN2 Q16637 6/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ BRD7 Q9NPI1 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ LMNA P02545 3/20 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
SCHEMBL18528470 1.00 MMP1 (0.36) MMP1MMP9MMP8ALDH1A1NPSR1
SCHEMBL30576375 0.87 NPC1 (0.40) MMP1MMP9MMP8ALDH1A1NPSR1
SCHEMBL18528469 0.87 NPC1 (0.40) MMP1MMP9MMP8ALDH1A1NPSR1
SCHEMBL15344226 0.77 KDM4E (0.38) MMP1MMP9MMP8ALDH1A1MAPT
SCHEMBL21835554 0.72 RAB9A (0.41) ALDH1A1MAPTHPGDKAT2BSMN1; SMN2
SCHEMBL29383170 0.72 RAB9A (0.41) ALDH1A1MAPTHPGDKAT2BSMN1; SMN2
SCHEMBL20522637 0.72 NPEPPS (0.37) NPSR1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12481315 0.71 SMN1; SMN2 (0.33) MMP1MMP9MMP8NPSR1HPGD
SCHEMBL15341137 0.71 CRHR1 (0.36) HPGDKDM4ELMNA
SCHEMBL31001028 0.71 CYP1A2 (0.52) ALDH1A1NPSR1MAPTHPGDKDM4E

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-111018790-B Pyridazinone herbicides FMC公司 2023-09-19 — — CN disclosed
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