SCHEMBL9678657

SCHEMBL9678657

CC1=NN(C(=O)NS(=O)(=O)c2c(F)cccc2F)C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 2/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ KAT6A Q92794 2/20 0.37
▸ TERT O14746 5/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ PKM P14618 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PKLR P30613 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CCKBR P32239 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
SCHEMBL9677171 0.85 STS (0.45) CACNA1HCACNA1CTERTRIPK1SLC40A1
SCHEMBL9676937 0.84 RIPK1 (0.53) CACNA1HTERTRIPK1KIF11LMNA
SCHEMBL9679257 0.79 RIPK1 (0.36) KAT6ARIPK1PKMPKLRLMNA
SCHEMBL9677307 0.78 HTR6 (0.43) KAT6ASLC40A1PKMEPHX2PKLR
SCHEMBL9678856 0.77 P2RY12 (0.42) RIPK1
SCHEMBL9675968 0.74 HTR6 (0.44) KAT6ASLC40A1PKMPKLRCCKBR
SCHEMBL9676571 0.73 POLB (0.38) KAT6ASLC40A1KIF11PKMPKLR
SCHEMBL9678604 0.72 RIPK1 (0.56) CACNA1HTERTRIPK1KIF11LMNA
SCHEMBL9679224 0.71 RIPK1 (0.54) CACNA1HTERTRIPK1KIF11LMNA
SCHEMBL9678772 0.71 STS (0.43) CACNA1HTERTRIPK1KIF11PKM

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
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