SCHEMBL9675932

SCHEMBL9675932

O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC=N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ THRB P10828 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ ALKBH2 Q6NS38 1/20 0.46
▸ ALKBH5 Q6P6C2 1/20 0.46
▸ ALKBH3 Q96Q83 1/20 0.46
▸ FTO Q9C0B1 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44

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
SCHEMBL9678519 0.80 POLB (0.40) CA1CA2ALDH1A1
SCHEMBL9676946 0.80 FLT1 (0.47) CA1CA2PKMSLC40A1L3MBTL1
SCHEMBL9676913 0.79 THRB (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL9678632 0.79 SMN1; SMN2 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL9679238 0.77 MEN1 (0.46) ALKBH2ALKBH3FTOMEN1KMT2A
SCHEMBL9677246 0.77 ITGB1 (0.48) PKMTDP1MEN1KMT2ASLC40A1
SCHEMBL9678815 0.76 SLC40A1 (0.47) CA1CA2TDP1MEN1KMT2A
SCHEMBL9675993 0.76 THRB (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL9679243 0.74 HTR6 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL9678583 0.74 SLC22A12 (0.40) KMT2AALDH1A1NPC1SMN1; SMN2

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