SCHEMBL9678632

SCHEMBL9678632

CC1=NN(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ PKM P14618 2/20 0.45
▸ ALKBH2 Q6NS38 1/20 0.44
▸ ALKBH5 Q6P6C2 1/20 0.44
▸ ALKBH3 Q96Q83 1/20 0.44
▸ FTO Q9C0B1 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NFKBIA P25963 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 2/20 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
SCHEMBL9678476 0.83 KAT6A (0.40) SMN1; SMN2PKMALDH1A1
SCHEMBL9678675 0.83 P2RY12 (0.44) SMN1; SMN2CA1CA2ALKBH2ALKBH3
SCHEMBL9677118 0.82 HTR6 (0.40) SMN1; SMN2ALKBH2ALKBH3LMNA
SCHEMBL9676824 0.81 HTR6 (0.40) ALDH1A1POLB
SCHEMBL9678598 0.81 P2RY12 (0.48) CA1CA2POLB
SCHEMBL9675932 0.79 CA1 (0.50) SMN1; SMN2THRBCA1CA2MMP1
SCHEMBL9676435 0.78 CA1 (0.46) CA1CA2ALDH1A1TDP1NPC1
SCHEMBL9678605 0.78 KMT2A (0.46) ALKBH2ALKBH3FTOALDH1A1POLB
SCHEMBL9678257 0.78 HTR6 (0.50) CA2LMNA
SCHEMBL9676913 0.77 THRB (0.48) SMN1; SMN2THRBCA1CA2MMP1

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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