SCHEMBL9676928

SCHEMBL9676928

O=C(NS(=O)(=O)c1ccccc1)N1N=C(C2CC2)CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.42
▸ KDM1A O60341 3/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9678806 0.86 KIF11 (0.42) CNR1RIPK1CNR2KIF11
SCHEMBL9676962 0.85 KIF11 (0.44) CNR1CA1CA2ALDH1A1RIPK1
SCHEMBL9678694 0.85 KIF11 (0.44) CA1CA2ALDH1A1RIPK1CACNA1H
SCHEMBL9678347 0.85 KIF11 (0.42) CNR1CA1CA2ALDH1A1RIPK1
SCHEMBL9677317 0.85 KIF11 (0.42) ALDH1A1RIPK1CACNA1HKIF11KDM4E
SCHEMBL9676881 0.83 RIPK1 (0.59) CNR1CA1CA2ALDH1A1RIPK1
SCHEMBL9678774 0.83 ALKBH2 (0.41) ALDH1A1RIPK1CACNA1HKMT2AKIF11
SCHEMBL9678797 0.82 RIPK1 (0.40) CA1CA2ALDH1A1RIPK1KMT2A
SCHEMBL9678289 0.81 KIF11 (0.36) CNR1CA1CA2ALDH1A1RIPK1
SCHEMBL9676007 0.81 RIPK1 (0.36) ALDH1A1RIPK1CACNA1HKIF11KDM4E

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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