SCHEMBL9678696

SCHEMBL9678696

O=C(NS(=O)(=O)c1c(F)cccc1F)N1CCC=N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.40
▸ PKM P14618 6/20 0.40
▸ PKLR P30613 1/20 0.40
▸ CCKBR P32239 1/20 0.37
▸ SLC40A1 Q9NP59 2/20 0.36
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ KAT6A Q92794 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ XDH P47989 1/20 0.32

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
SCHEMBL9677307 0.76 HTR6 (0.43) HTR6PKMPKLRCCKBRSLC40A1
SCHEMBL9679153 0.76 HTR6 (0.42) HTR6SLC40A1AKR1C3
SCHEMBL9675968 0.75 HTR6 (0.44) HTR6PKMPKLRCCKBRSLC40A1
SCHEMBL9676946 0.75 FLT1 (0.47) HTR6PKMSLC40A1
SCHEMBL9679238 0.74 MEN1 (0.46) PKLRSLC40A1KAT6A
SCHEMBL9678708 0.74 HTR6 (0.55) HTR6
SCHEMBL9675932 0.74 CA1 (0.50) PKMSLC40A1HPGD
SCHEMBL9678590 0.73 PKM (0.34) PKMPKLRCCKBRSLC40A1KAT6A
SCHEMBL9679257 0.73 RIPK1 (0.36) HTR6PKMPKLRCCKBRKAT6A
SCHEMBL9677246 0.72 ITGB1 (0.48) PKMSLC40A1ITGB1ITGA4KAT6A

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
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
EP-0269141-A2 1-Carbamoyl-2-pyrazoline derivatives having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-06-01 — — EP disclosed
Send feedback