SCHEMBL9675993

SCHEMBL9675993

CC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ ACHE P22303 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALKBH2 Q6NS38 1/20 0.43
▸ ALKBH5 Q6P6C2 1/20 0.43
▸ ALKBH3 Q96Q83 1/20 0.43
▸ FTO Q9C0B1 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL9676421 0.85 POLB (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL9677678 0.84 THRB (0.43) THRBCA1CA2MMP1MMP2
SCHEMBL9678547 0.82 RIPK1 (0.39) CA1CA2POLBNPC1
SCHEMBL9677343 0.82 HTR6 (0.46) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL9678674 0.81 MAPT (0.40) CA1CA2POLBMAPT
SCHEMBL9677191 0.79 CA1 (0.45) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL9675919 0.79 ALKBH2 (0.43) MEN1KMT2AALKBH2ALKBH3FTO
SCHEMBL9676913 0.79 THRB (0.48) THRBCA1CA2MMP1MMP2
SCHEMBL9675932 0.76 CA1 (0.50) THRBCA1CA2MMP1MMP2
SCHEMBL9679257 0.75 RIPK1 (0.36) PKMLMNAMAPTNPC1

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