SCHEMBL29055093

SCHEMBL29055093

ON=Cc1cc(-c2ncc(Cl)cc2Cl)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 3/20 0.39
▸ PLAU P00749 1/20 0.36
▸ MAPT P10636 4/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GRIN2D O15399 2/20 0.31
▸ GRIN3B O60391 2/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2A Q12879 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ GRIN2C Q14957 2/20 0.31
▸ GRIN3A Q8TCU5 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL27196519 0.89 HTR5A (0.38) HTR5AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24485240 0.84 ALDH1A1 (0.43) PLAUMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29055160 0.84 ALDH1A1 (0.43) PLAUMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27196544 0.81 SLC2A1 (0.41) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL29055161 0.81 TDP1 (0.40) HTR5APLAUALDH1A1LMNA
SCHEMBL27196460 0.80 MAPT (0.36) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL27196495 0.76 NPC1 (0.32) HTR5AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30525128 0.76 NPC1 (0.32) HTR5AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31152597 0.74 ALDH1A1 (0.44) PLAUMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26656899 0.73 HTR5A (0.38) HTR5APLAUSMN1; SMN2TSHRKDM4E

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-116568673-A Herbicidal compounds 先正达农作物保护股份公司 2023-08-08 — — CN disclosed
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