SCHEMBL9676881

SCHEMBL9676881

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.59
▸ GAA P10253 1/20 0.52
▸ CACNA1H O95180 2/20 0.50
▸ LMNA P02545 1/20 0.47
▸ TERT O14746 2/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ KIF11 P52732 2/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ BECN1 Q14457 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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 0.86 RIPK1 (0.57) RIPK1GAACACNA1HLMNATERT
SCHEMBL9679224 0.86 RIPK1 (0.54) RIPK1GAACACNA1HLMNATERT
SCHEMBL9678604 0.85 RIPK1 (0.56) RIPK1GAACACNA1HLMNATERT
SCHEMBL9676937 0.85 RIPK1 (0.53) RIPK1GAACACNA1HLMNATERT
SCHEMBL9678631 0.85 RIPK1 (0.56) RIPK1GAACACNA1HLMNATERT
SCHEMBL9678365 0.85 RIPK1 (0.56) RIPK1GAACACNA1HLMNATERT
SCHEMBL9676928 0.83 CNR1 (0.42) RIPK1CACNA1HCNR1KIF11CA1
SCHEMBL9676048 0.82 RIPK1 (0.56) RIPK1GAACACNA1HLMNATERT
SCHEMBL9676811 0.82 RIPK1 (0.56) RIPK1GAACACNA1HLMNATERT
SCHEMBL9676168 0.81 RIPK1 (0.51) RIPK1GAACACNA1HLMNATERT

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