SCHEMBL9678564

SCHEMBL9678564

O=C(NS(=O)(=O)c1ccccc1)N1N=CCC1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ RIPK1 Q13546 14/20 0.57
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ HTR6 P50406 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL9677274 0.92 POLB (0.67) POLBRIPK1NPC1RAB9AHTR6
SCHEMBL9676149 0.92 POLB (0.64) POLBRIPK1NPC1RAB9AHTR6
SCHEMBL9679293 0.89 HTR6 (0.71) POLBRIPK1NPC1RAB9AHTR6
SCHEMBL9676475 0.85 POLB (0.59) POLBRIPK1NPC1RAB9AHTR6
SCHEMBL9676874 0.84 NPC1 (0.53) POLBRIPK1NPC1RAB9AHTR6
SCHEMBL9676723 0.84 RIPK1 (0.52) POLBRIPK1NPC1RAB9AMAPT
SCHEMBL9677282 0.84 RIPK1 (0.55) POLBRIPK1NPC1RAB9AMAPT
SCHEMBL9677567 0.84 RIPK1 (0.55) POLBRIPK1NPC1RAB9AMAPT
SCHEMBL9676497 0.84 RIPK1 (0.52) POLBRIPK1NPC1RAB9AMAPT
SCHEMBL9676868 0.84 POLB (0.58) POLBRIPK1NPC1RAB9AHTR6

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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