SCHEMBL9679238

SCHEMBL9679238

O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)N1CCC=N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ALKBH2 Q6NS38 1/20 0.45
▸ ALKBH3 Q96Q83 1/20 0.45
▸ FTO Q9C0B1 1/20 0.45
▸ SLC22A12 Q96S37 11/20 0.44
▸ SLC40A1 Q9NP59 1/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ SLC22A8 Q8TCC7 2/20 0.43
▸ SLC22A11 Q9NSA0 2/20 0.43
▸ KAT6A Q92794 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PKLR P30613 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL9677216 0.82 SLC40A1 (0.46) SLC22A12SLC40A1PKLR
SCHEMBL9678519 0.81 POLB (0.40) ALDH1A1
SCHEMBL9676946 0.81 FLT1 (0.47) ALDH1A1SLC40A1
SCHEMBL9678605 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1ALKBH2ALKBH3
SCHEMBL9677246 0.78 ITGB1 (0.48) MEN1KMT2AALDH1A1SLC40A1CYP2C9
SCHEMBL9678534 0.78 ALKBH2 (0.43) MEN1KMT2AALDH1A1ALKBH2ALKBH3
SCHEMBL9678583 0.78 SLC22A12 (0.40) KMT2AALDH1A1SLC22A12PKLR
SCHEMBL9676381 0.77 HTR6 (0.33) —
SCHEMBL9678815 0.77 SLC40A1 (0.47) MEN1KMT2AALDH1A1SLC40A1
SCHEMBL9675932 0.77 CA1 (0.50) MEN1KMT2AALDH1A1ALKBH2ALKBH3

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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