SCHEMBL9678698

SCHEMBL9678698

CCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.39
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ RIPK1 Q13546 5/20 0.34
▸ HTR6 P50406 3/20 0.34
▸ KLK7 P49862 1/20 0.33
▸ EDNRA P25101 2/20 0.33
▸ EDNRB P24530 1/20 0.33

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
SCHEMBL9677211 0.91 RECQL (0.38) RECQLPOLBMAPTRIPK1HTR6
SCHEMBL9678966 0.87 MAPT (0.37) MAPTRIPK1HTR6
SCHEMBL9678653 0.87 HTR6 (0.46) POLBHTR6
SCHEMBL9676071 0.84 ALKBH2 (0.39) POLB
SCHEMBL9676531 0.84 CA1 (0.41) POLBMAPT
SCHEMBL9676369 0.84 HTR6 (0.44) RIPK1HTR6
SCHEMBL9677678 0.83 THRB (0.43) —
SCHEMBL9677207 0.83 HTR6 (0.38) HTR6
SCHEMBL9678674 0.83 MAPT (0.40) RECQLPOLBMAPTRIPK1KLK7
SCHEMBL9678709 0.79 HTR6 (0.45) POLBMAPTRIPK1HTR6

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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