SCHEMBL9677171

SCHEMBL9677171

CC1=NN(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)C(C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.45
▸ HTR6 P50406 1/20 0.41
▸ ATM Q13315 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ CACNA1H O95180 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ TERT O14746 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL9678856 0.87 P2RY12 (0.42) HTR6RIPK1GAACNR1
SCHEMBL9678657 0.85 CACNA1H (0.39) RIPK1CACNA1HLMNATERTCACNA1C
SCHEMBL9679224 0.85 RIPK1 (0.54) STSHTR6RIPK1CACNA1HLMNA
SCHEMBL9678772 0.85 STS (0.43) STSHTR6ATMRIPK1CACNA1H
SCHEMBL9677235 0.79 HTR6 (0.44) STSHTR6ATMRIPK1LMNA
SCHEMBL9678253 0.78 HTR6 (0.47) STSHTR6ATMLMNAGAA
SCHEMBL9678365 0.74 RIPK1 (0.56) HTR6RIPK1CACNA1HLMNAGAA
SCHEMBL9677074 0.73 STS (0.40) STSHTR6ATMLMNAGAA
SCHEMBL9676937 0.72 RIPK1 (0.53) RIPK1CACNA1HLMNAGAATERT
SCHEMBL9678539 0.71 HTR6 (0.49) STSHTR6ATMRIPK1GAA

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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