SCHEMBL9678229

SCHEMBL9678229

CC1(C)CC=NN1C(=O)NS(=O)(=O)c1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 2/20 0.38
▸ EDNRB P24530 1/20 0.38
▸ RECQL P46063 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KLK7 P49862 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ CCR1 P32246 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ FBP1 P09467 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
SCHEMBL9678263 0.86 CA1 (0.41) EDNRAEDNRBCA1CA2KDM4E
SCHEMBL9676311 0.85 FLT1 (0.44) EDNRAEDNRBPOLBCA1CA2
SCHEMBL9678624 0.85 KAT6A (0.39) EDNRAEDNRBMAPTKDM4EALDH1A1
SCHEMBL9678713 0.83 HRH1 (0.41) POLBBRD4ALDH1A1BRD2
SCHEMBL9677454 0.82 CA1 (0.45) MAPTPOLBCA1CA2BRD4
SCHEMBL9677177 0.82 ALKBH2 (0.43) POLBBRD4ALDH1A1GAA
SCHEMBL9677128 0.82 HTR6 (0.43) CA2KDM4E
SCHEMBL9678643 0.81 CCR4 (0.39) CCR1
SCHEMBL9678650 0.80 SLC22A12 (0.35) ALDH1A1
SCHEMBL9676859 0.77 ALKBH2 (0.43) EDNRAEDNRBALDH1A1GAA

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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