SCHEMBL9676007

SCHEMBL9676007

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ GSPT1 P15170 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ CACNA1H O95180 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CYP2J2 P51589 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ SSTR1 P30872 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
SCHEMBL9678289 0.87 KIF11 (0.36) RIPK1KIF11CACNA1HKDM4EALDH1A1
SCHEMBL9678597 0.87 RIPK1 (0.53) RIPK1ALPLKIF11CACNA1HKDM4E
SCHEMBL9678774 0.85 ALKBH2 (0.41) RIPK1KIF11CACNA1HKDM4EALDH1A1
SCHEMBL9677317 0.84 KIF11 (0.42) RIPK1KIF11CACNA1HKDM4EALDH1A1
SCHEMBL9676962 0.82 KIF11 (0.44) RIPK1KIF11ALDH1A1
SCHEMBL9678347 0.82 KIF11 (0.42) RIPK1KIF11CACNA1HKDM4EALDH1A1
SCHEMBL9678797 0.81 RIPK1 (0.40) RIPK1SLC40A1ALDH1A1GAA
SCHEMBL9676928 0.81 CNR1 (0.42) RIPK1KIF11CACNA1HKDM4EALDH1A1
SCHEMBL9678331 0.81 RIPK1 (0.49) RIPK1ALDH1A1
SCHEMBL9678694 0.78 KIF11 (0.44) RIPK1KIF11CACNA1HKDM4EALDH1A1

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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