SCHEMBL9678631

SCHEMBL9678631

CC1=NN(C(=O)NS(=O)(=O)c2ccccc2Br)C(c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.56
▸ GAA P10253 1/20 0.47
▸ KIF11 P52732 3/20 0.46
▸ CACNA1H O95180 2/20 0.46
▸ LMNA P02545 1/20 0.43
▸ TERT O14746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ BCL2 P10415 4/20 0.38
▸ BECN1 Q14457 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL9678615 0.88 RIPK1 (0.57) RIPK1GAAKIF11CACNA1HLMNA
SCHEMBL9678604 0.87 RIPK1 (0.56) RIPK1GAAKIF11CACNA1HLMNA
SCHEMBL9678365 0.87 RIPK1 (0.56) RIPK1GAAKIF11CACNA1HLMNA
SCHEMBL9676881 0.85 RIPK1 (0.59) RIPK1GAAKIF11CACNA1HLMNA
SCHEMBL9678347 0.85 KIF11 (0.42) RIPK1KIF11CACNA1HALDH1A1MAPT
SCHEMBL9676048 0.84 RIPK1 (0.56) RIPK1GAAKIF11CACNA1HLMNA
SCHEMBL9676811 0.84 RIPK1 (0.56) RIPK1GAACACNA1HLMNATERT
SCHEMBL9676168 0.82 RIPK1 (0.51) RIPK1GAAKIF11CACNA1HLMNA
SCHEMBL9678597 0.81 RIPK1 (0.53) RIPK1GAAKIF11CACNA1HLMNA
SCHEMBL9677340 0.81 RIPK1 (0.50) RIPK1GAAKIF11CACNA1HLMNA

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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