SCHEMBL9677246

SCHEMBL9677246

COc1ccccc1S(=O)(=O)NC(=O)N1CCC=N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ HRH1 P35367 1/20 0.46
▸ CCR3 P51677 1/20 0.46
▸ TRIM24 O15164 1/20 0.44
▸ SLC40A1 Q9NP59 1/20 0.43
▸ KAT6A Q92794 1/20 0.41
▸ PKM P14618 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ GLA P06280 1/20 0.39

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 0.85 SLC40A1 (0.46) ITGB1ITGA4SLC40A1BRD4
SCHEMBL9678583 0.85 SLC22A12 (0.40) ITGB1ITGA4HRH1CCR3TRIM24
SCHEMBL9678815 0.84 SLC40A1 (0.47) SLC40A1ALDH1A1MEN1KMT2ATDP1
SCHEMBL9678519 0.81 POLB (0.40) ITGB1ITGA4ALDH1A1MAPTPOLB
SCHEMBL9676946 0.81 FLT1 (0.47) HRH1CCR3SLC40A1PKMALDH1A1
SCHEMBL9679238 0.78 MEN1 (0.46) SLC40A1KAT6AALDH1A1CYP3A4MEN1
SCHEMBL9679243 0.78 HTR6 (0.42) ITGB1ITGA4ALDH1A1HTTMAPT
SCHEMBL9675932 0.77 CA1 (0.50) SLC40A1PKMALDH1A1MEN1HPGD
SCHEMBL9678713 0.76 HRH1 (0.41) HRH1CCR3TRIM24SLC40A1KAT6A
SCHEMBL9676073 0.74 L3MBTL1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPT

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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