SCHEMBL9678675

SCHEMBL9678675

CC1=NN(C(=O)NS(=O)(=O)c2ccccc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 2/20 0.44
▸ ALKBH2 Q6NS38 1/20 0.42
▸ ALKBH3 Q96Q83 1/20 0.42
▸ FBP1 P09467 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PPARG P37231 1/20 0.40

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
SCHEMBL9677118 0.88 HTR6 (0.40) P2RY12ALKBH2ALKBH3JAK2HTR6
SCHEMBL9678476 0.87 KAT6A (0.40) HTR6SMN1; SMN2TSHRKAT6AALDH1A1
SCHEMBL9678598 0.87 P2RY12 (0.48) P2RY12HTR6CA1CA2CA9
SCHEMBL9676824 0.87 HTR6 (0.40) P2RY12FBP1HTR6KDM4EEPHX2
SCHEMBL9676435 0.84 CA1 (0.46) CA1CA2CA9TDP1LMNA
SCHEMBL9678605 0.84 KMT2A (0.46) ALKBH2ALKBH3EPHX2KAT6AALDH1A1
SCHEMBL9678257 0.84 HTR6 (0.50) P2RY12HTR6CA2KDM4ELMNA
SCHEMBL9678632 0.83 SMN1; SMN2 (0.48) ALKBH2ALKBH3CA1CA2SMN1; SMN2
SCHEMBL9678253 0.78 HTR6 (0.47) P2RY12HTR6SMN1; SMN2SLC1A3SLC1A2
SCHEMBL9677307 0.78 HTR6 (0.43) HTR6HTTEPHX2KAT6AALDH1A1

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