SCHEMBL29559453

SCHEMBL29559453

Cc1ccc(COCc2ccccc2F)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.47
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ SLC6A4 P31645 5/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAOB P27338 3/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22897890 1.00 IDO1 (0.47) IDO1LMNAMAPTTDP1HTT
SCHEMBL29116803 0.85 TDP1 (0.50) TDP1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL29559812 0.84 IDO1 (0.53) IDO1TDP1SLC6A4SLC6A2SLC6A3
SCHEMBL22897868 0.84 IDO1 (0.53) IDO1TDP1SLC6A4SLC6A2SLC6A3
SCHEMBL29559588 0.82 SLC6A4 (0.43) IDO1TDP1HTTSLC6A4SLC6A2
SCHEMBL22897934 0.82 SLC6A4 (0.43) IDO1TDP1HTTSLC6A4SLC6A2
SCHEMBL22897898 0.81 IDO1 (0.47) IDO1LMNAMAPTTDP1SLC6A4
SCHEMBL29560795 0.81 IDO1 (0.47) IDO1LMNAMAPTTDP1SLC6A4
SCHEMBL22898024 0.81 TSHR (0.50) IDO1LMNAMAPTTDP1HTT
SCHEMBL29559481 0.79 SLC6A4 (0.42) TDP1SLC6A4SLC6A2SLC6A3ALDH1A1

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-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
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