SCHEMBL9676113

SCHEMBL9676113

COc1ccccc1S(=O)(=O)NC(=O)N1N=C(C)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HRH1 P35367 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ KAT6A Q92794 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ TRIM24 O15164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ITGAV P06756 1/20 0.36
▸ BRD4 O60885 4/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL9676160 0.87 ALPL (0.39) ALDH1A1KDM4EBRD4SLC40A1
SCHEMBL9676148 0.87 SLC22A12 (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9676037 0.85 CA1 (0.44) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL9678305 0.84 FLT1 (0.43) ALDH1A1HRH1CCR3CYP2C19CYP3A4
SCHEMBL9677170 0.84 EDNRA (0.40) KAT6A
SCHEMBL9678713 0.81 HRH1 (0.41) ALDH1A1HRH1CCR3KAT6ANAMPT
SCHEMBL9678269 0.80 CCR4 (0.39) KMT2A
SCHEMBL9676571 0.75 POLB (0.38) KAT6AMEN1PKMKMT2ASLC40A1
SCHEMBL9677074 0.75 STS (0.40) MEN1PKMKMT2AATML3MBTL1
SCHEMBL9679161 0.74 L3MBTL1 (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A

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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