SCHEMBL9678289

SCHEMBL9678289

O=C(NS(=O)(=O)c1ccccc1OC(F)F)N1N=C(C2CC2)CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.36
▸ CACNA1H O95180 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RIPK1 Q13546 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ CASP1 P29466 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA4 P22748 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL9676007 0.87 RIPK1 (0.36) KIF11CACNA1HKDM4EALDH1A1RIPK1
SCHEMBL9677340 0.87 RIPK1 (0.50) KIF11CACNA1HKDM4EALDH1A1RIPK1
SCHEMBL9677317 0.84 KIF11 (0.42) KIF11CACNA1HKDM4EALDH1A1RIPK1
SCHEMBL9678347 0.82 KIF11 (0.42) KIF11CACNA1HKDM4EALDH1A1RIPK1
SCHEMBL9676962 0.82 KIF11 (0.44) KIF11ALDH1A1RIPK1CA1CA2
SCHEMBL9678774 0.82 ALKBH2 (0.41) KIF11CACNA1HKDM4EALDH1A1RIPK1
SCHEMBL9678797 0.81 RIPK1 (0.40) ALDH1A1RIPK1GAACA1CA2
SCHEMBL9676928 0.81 CNR1 (0.42) KIF11CACNA1HKDM4EALDH1A1RIPK1
SCHEMBL9675908 0.81 POLB (0.47) ALDH1A1RIPK1
SCHEMBL9678694 0.78 KIF11 (0.44) KIF11CACNA1HKDM4EALDH1A1RIPK1

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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