SCHEMBL9676160

SCHEMBL9676160

CC1=NN(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ CCR1 P32246 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ FBP1 P09467 1/20 0.37
▸ MRGPRX1 Q96LB2 1/20 0.36
▸ SLC22A12 Q96S37 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ HSD11B2 P80365 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35

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
SCHEMBL9676113 0.87 ALDH1A1 (0.41) SLC40A1BRD4ALDH1A1KDM4E
SCHEMBL9676148 0.85 SLC22A12 (0.35) SLC22A12ALDH1A1KDM4E
SCHEMBL9677170 0.82 EDNRA (0.40) —
SCHEMBL9678305 0.80 FLT1 (0.43) ALDH1A1
SCHEMBL9676037 0.80 CA1 (0.44) SLC40A1BRD4ALDH1A1
SCHEMBL9679161 0.77 L3MBTL1 (0.33) ALDH1A1KDM4E
SCHEMBL9678269 0.76 CCR4 (0.39) —
SCHEMBL9678597 0.75 RIPK1 (0.53) ALPLSLC40A1PTGER4KDM4E
SCHEMBL9676571 0.74 POLB (0.38) SLC40A1PIK3CAHSD11B1
SCHEMBL25248899 0.74 ALPL (0.49) ALPLSLC40A1CCR1PTGER4BRD4

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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