SCHEMBL9679293

SCHEMBL9679293

O=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.71
▸ RIPK1 Q13546 7/20 0.66
▸ MAPT P10636 3/20 0.66
▸ POLB P06746 1/20 0.57
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ATM Q13315 1/20 0.46

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
SCHEMBL9678564 0.89 POLB (0.57) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL9676149 0.88 POLB (0.64) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL9677274 0.88 POLB (0.67) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL9676475 0.84 POLB (0.59) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL9676868 0.81 POLB (0.58) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL9678530 0.80 POLB (0.55) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL9676874 0.79 NPC1 (0.53) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL13303300 0.77 HTR6 (0.71) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL9677876 0.77 POLB (0.58) HTR6RIPK1MAPTPOLBMEN1
SCHEMBL9677282 0.76 RIPK1 (0.55) RIPK1MAPTPOLBMEN1KMT2A

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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