SCHEMBL9676453

SCHEMBL9676453

O=C(NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCC=N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.45
▸ STS P08842 1/20 0.43
▸ ATM Q13315 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ITGAV P06756 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 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
SCHEMBL9679153 0.86 HTR6 (0.42) HTR6CNR1SLC40A1
SCHEMBL9676946 0.85 FLT1 (0.47) HTR6GAASLC40A1L3MBTL1PKM
SCHEMBL9678696 0.84 HTR6 (0.40) HTR6LMNASLC40A1PKMITGB1
SCHEMBL9678253 0.76 HTR6 (0.47) HTR6STSATMGAALMNA
SCHEMBL9678519 0.75 POLB (0.40) HTR6POLBITGB1ITGA4
SCHEMBL9677152 0.74 HTR6 (0.45) HTR6STSATMGAALMNA
SCHEMBL11568912 0.73 TAS1R3 (0.56) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9677235 0.73 HTR6 (0.44) HTR6STSATMGAALMNA
SCHEMBL9677148 0.73 HTR6 (0.42) HTR6STSATMGAALMNA
SCHEMBL9679238 0.72 MEN1 (0.46) MEN1KMT2ASLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269141-B1 1-CARBAMOYL-2-PYRAZOLINE DERIVATIVES HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-09-16 — — EP disclosed
US-4927452-A 1-carbonyl-2-pyrazoline derivatives having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1990-05-22 — — US disclosed
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