SCHEMBL9678772

SCHEMBL9678772

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.43
▸ HTR6 P50406 1/20 0.39
▸ ATM Q13315 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ KIF11 P52732 2/20 0.34
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TERT O14746 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ EPHX2 P34913 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) STSHTR6ATMRIPK1SLC1A3
SCHEMBL9679224 0.82 RIPK1 (0.54) STSHTR6RIPK1LMNACACNA1H
SCHEMBL9678253 0.72 HTR6 (0.47) STSHTR6ATMSLC1A3SLC1A2
SCHEMBL9678856 0.72 P2RY12 (0.42) HTR6RIPK1GAACNR1
SCHEMBL9678365 0.72 RIPK1 (0.56) HTR6RIPK1LMNACACNA1HKIF11
SCHEMBL9677235 0.71 HTR6 (0.44) STSHTR6ATMRIPK1LMNA
SCHEMBL9678657 0.71 CACNA1H (0.39) RIPK1LMNAPKMCACNA1HKIF11
SCHEMBL9677074 0.71 STS (0.40) STSHTR6ATMSLC1A3SLC1A2
SCHEMBL9676937 0.70 RIPK1 (0.53) RIPK1LMNACACNA1HKIF11GAA
SCHEMBL9678539 0.69 HTR6 (0.49) STSHTR6ATMRIPK1SLC1A3

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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