SCHEMBL9679126

SCHEMBL9679126

O=C(NS(=O)(=O)c1c(Cl)cccc1Cl)N1N=CCC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 8/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTR6 P50406 6/20 0.41
▸ PKM P14618 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL9678652 0.90 MAPT (0.45) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9677810 0.89 NPC1 (0.40) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9676475 0.86 POLB (0.59) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9677712 0.80 RIPK1 (0.41) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9677095 0.79 RIPK1 (0.43) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9677235 0.77 HTR6 (0.44) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9677876 0.77 POLB (0.58) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9676868 0.76 POLB (0.58) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9678530 0.76 POLB (0.55) RIPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9676421 0.75 POLB (0.48) RIPK1MAPTMEN1ALDH1A1KMT2A

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
Send feedback