SCHEMBL9678774

SCHEMBL9678774

O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)N1N=C(C2CC2)CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH2 Q6NS38 1/20 0.41
▸ ALKBH3 Q96Q83 1/20 0.41
▸ FTO Q9C0B1 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SFRP1 Q8N474 2/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ RBP4 P02753 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL9677317 0.87 KIF11 (0.42) ALDH1A1RIPK1KAT6AKIF11CACNA1H
SCHEMBL9676048 0.86 RIPK1 (0.56) ALKBH2ALKBH3FTOKMT2AALDH1A1
SCHEMBL9676007 0.85 RIPK1 (0.36) ALDH1A1RIPK1KIF11SLC22A12CACNA1H
SCHEMBL9678347 0.85 KIF11 (0.42) ALDH1A1RIPK1KIF11CACNA1HKDM4E
SCHEMBL9676962 0.85 KIF11 (0.44) ALDH1A1RIPK1KIF11L3MBTL1
SCHEMBL9676928 0.83 CNR1 (0.42) KMT2AALDH1A1RIPK1KIF11CACNA1H
SCHEMBL9678289 0.82 KIF11 (0.36) ALDH1A1RIPK1KIF11SLC22A12CACNA1H
SCHEMBL9678797 0.81 RIPK1 (0.40) KMT2AALDH1A1MEN1RIPK1TDP1
SCHEMBL9678694 0.81 KIF11 (0.44) ALDH1A1RIPK1KIF11CACNA1HKDM4E
SCHEMBL9676270 0.79 RIPK1 (0.52) ALKBH2ALKBH3FTOKMT2AALDH1A1

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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