SCHEMBL9676824

SCHEMBL9676824

CC1=NN(C(=O)NS(=O)(=O)c2ccccc2Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.40
▸ EDNRA P25101 2/20 0.39
▸ EDNRB P24530 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ P2RY12 Q9H244 2/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL9678675 0.87 P2RY12 (0.44) HTR6KDM4EALDH1A1EPHX2P2RY12
SCHEMBL9677118 0.86 HTR6 (0.40) HTR6P2RY12
SCHEMBL9678476 0.85 KAT6A (0.40) HTR6EDNRAALDH1A1
SCHEMBL9678598 0.85 P2RY12 (0.48) HTR6POLBP2RY12
SCHEMBL9678605 0.82 KMT2A (0.46) ALDH1A1EPHX2POLB
SCHEMBL9676435 0.82 CA1 (0.46) MAPTALDH1A1POLBBRD4
SCHEMBL9678257 0.82 HTR6 (0.50) HTR6KDM4EP2RY12
SCHEMBL9678632 0.81 SMN1; SMN2 (0.48) ALDH1A1POLB
SCHEMBL9678519 0.77 POLB (0.40) HTR6EDNRAEDNRBMAPTKDM4E
SCHEMBL9678253 0.76 HTR6 (0.47) HTR6EPHX2POLBP2RY12

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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