SCHEMBL9677118

SCHEMBL9677118

CC1=NN(C(=O)NS(=O)(=O)c2ccccc2S(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.40
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ P2RY12 Q9H244 3/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ ITGAV P06756 1/20 0.34
▸ HRH1 P35367 3/20 0.34
▸ CCR3 P51677 3/20 0.34
▸ BCAT2 O15382 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP11B2 P19099 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ALKBH2 Q6NS38 1/20 0.32
▸ ALKBH3 Q96Q83 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ PKLR P30613 1/20 0.32
▸ PLA2G1B P04054 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9678675 0.88 P2RY12 (0.44) HTR6P2RY12HRH1CCR3LMNA
SCHEMBL9678476 0.86 KAT6A (0.40) HTR6SMN1; SMN2
SCHEMBL9678598 0.86 P2RY12 (0.48) HTR6P2RY12HRH1CCR3
SCHEMBL9676824 0.86 HTR6 (0.40) HTR6P2RY12
SCHEMBL9676435 0.83 CA1 (0.46) LMNA
SCHEMBL9678605 0.83 KMT2A (0.46) ALKBH2ALKBH3
SCHEMBL9678257 0.83 HTR6 (0.50) HTR6P2RY12LMNA
SCHEMBL9678632 0.82 SMN1; SMN2 (0.48) LMNAALKBH2ALKBH3SMN1; SMN2
SCHEMBL9678253 0.77 HTR6 (0.47) HTR6P2RY12LMNASMN1; SMN2
SCHEMBL9677307 0.77 HTR6 (0.43) HTR6PKLRHTT

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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