SCHEMBL9678674

SCHEMBL9678674

CC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ RIPK1 Q13546 7/20 0.37
▸ KLK7 P49862 1/20 0.36
▸ EDNRA P25101 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ RECQL P46063 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 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
SCHEMBL9678547 0.86 RIPK1 (0.39) RIPK1POLBCA12CA1CA2
SCHEMBL9677343 0.86 HTR6 (0.46) MAPTRIPK1POLBCA12CA1
SCHEMBL9677211 0.85 RECQL (0.38) MAPTRIPK1KLK7EDNRAPOLB
SCHEMBL9676497 0.83 RIPK1 (0.52) MAPTRIPK1POLB
SCHEMBL9678698 0.83 RECQL (0.39) MAPTRIPK1KLK7EDNRAPOLB
SCHEMBL9677191 0.82 CA1 (0.45) MAPTRIPK1POLBCA1CA2
SCHEMBL9675919 0.82 ALKBH2 (0.43) POLB
SCHEMBL9675993 0.81 THRB (0.47) MAPTPOLBCA1CA2
SCHEMBL9677235 0.77 HTR6 (0.44) MAPTRIPK1POLB
SCHEMBL9679257 0.77 RIPK1 (0.36) MAPTRIPK1

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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