SCHEMBL7400507

SCHEMBL7400507

CS(=O)(=O)c1nc2ccsc2n2cccc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 13/20 0.54
▸ HTR2C P28335 13/20 0.54
▸ HTR3E A5X5Y0 2/20 0.49
▸ HTR3B O95264 2/20 0.49
▸ HTR3A P46098 2/20 0.49
▸ HTR3D Q70Z44 2/20 0.49
▸ HTR3C Q8WXA8 2/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR2A P28223 1/20 0.43
▸ HTR2B P41595 1/20 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
SCHEMBL7298474 0.74 HTR1A (0.57) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7305667 0.70 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL20674153 0.68 BAZ2B (0.41) —
SCHEMBL7305847 0.66 HTR1A (0.67) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7299090 0.66 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL21959620 0.66 KDM4E (0.40) —
SCHEMBL7309256 0.66 HTR1A (0.56) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7302550 0.65 HTR1A (0.70) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7297117 0.65 HTR1A (0.80) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7293903 0.64 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014381-A1 ETHER DERIVATIVES OF PYRROLO[1,2-A]QUINOXALINES, METHOD FOR PRODUCING THEM AND THEIR USE IN THERAPY UNIVERSITE DE CAEN BASSE-NORMANDIE (FR) 2001-03-01 — — WO disclosed
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