SCHEMBL9677307

SCHEMBL9677307

CC1=NN(C(=O)NS(=O)(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.43
▸ PKM P14618 8/20 0.41
▸ PKLR P30613 3/20 0.41
▸ KAT6A Q92794 2/20 0.38
▸ CCKBR P32239 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33

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 0.86 KAT6A (0.40) HTR6PKMKAT6AALDH1A1
SCHEMBL9678253 0.85 HTR6 (0.47) HTR6PKMSLC40A1EPHX2
SCHEMBL9678257 0.80 HTR6 (0.50) HTR6
SCHEMBL9678675 0.78 P2RY12 (0.44) HTR6KAT6AALDH1A1SLC40A1EPHX2
SCHEMBL9678657 0.78 CACNA1H (0.39) PKMPKLRKAT6ACCKBRSLC40A1
SCHEMBL9678696 0.76 HTR6 (0.40) HTR6PKMPKLRKAT6ACCKBR
SCHEMBL9676824 0.76 HTR6 (0.40) HTR6ALDH1A1EPHX2MAPT
SCHEMBL9678598 0.76 P2RY12 (0.48) HTR6
SCHEMBL9678605 0.76 KMT2A (0.46) KAT6AALDH1A1SLC40A1EPHX2
SCHEMBL9676571 0.75 POLB (0.38) PKMPKLRKAT6ACCKBRSLC40A1

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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