SCHEMBL9678637

SCHEMBL9678637

CCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2C)C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 2/20 0.39
▸ ALKBH2 Q6NS38 1/20 0.38
▸ ALKBH3 Q96Q83 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ CA12 O43570 2/20 0.37
▸ HTR6 P50406 3/20 0.37
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ KAT6A Q92794 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HPGD P15428 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
SCHEMBL9678218 0.87 HTR6 (0.50) P2RY12HRH1CCR3CA1CA2
SCHEMBL9678301 0.84 CA1 (0.42) CA1CA2CA9ALDH1A1TDP1
SCHEMBL9678578 0.79 HTR6 (0.49) HTR6SLC1A3SLC1A2LMNAGAA
SCHEMBL9678801 0.76 HTR6 (0.53) FBP1HTR6
SCHEMBL9677403 0.75 HTR6 (0.57) HTR6
SCHEMBL9678576 0.72 HTR6 (0.42) P2RY12ALKBH2ALKBH3FBP1HRH1
SCHEMBL9678700 0.72 HTR6 (0.46) P2RY12HRH1CCR3CA1CA2
SCHEMBL9677567 0.70 RIPK1 (0.55) ALDH1A1
SCHEMBL9676274 0.70 CA1 (0.46) CA1CA2CA9ALDH1A1TDP1
SCHEMBL9676059 0.69 CA1 (0.42) CA1CA2CA9ALDH1A1TDP1

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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