SCHEMBL1726417

SCHEMBL1726417

O=S(=O)(Nc1cccc(N2CCNCC2)c1)c1ccccc1OC(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 10/20 0.61
▸ ALOX12 P18054 1/20 0.49
▸ GUSB P08236 3/20 0.46
▸ GHSR Q92847 2/20 0.44
▸ HTR7 P34969 3/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ KAT6A Q92794 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 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
Trifluoroacetic Acid SCHEMBL1613541 0.92 HTR6 (0.56) HTR6ALOX12GUSBGHSRHTR2C
SCHEMBL1726890 0.85 HTR6 (0.54) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL1725886 0.82 HTR6 (0.62) HTR6GHSRHTR7HTR1AHTR2A
SCHEMBL1725755 0.81 HTR6 (0.68) HTR6ALOX12GUSBGHSRHTR7
SCHEMBL616766 0.81 HTR6 (0.65) HTR6ALOX12GUSBHTR7HTR1A
SCHEMBL6736316 0.80 HTR6 (0.47) HTR6HTR7HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL1611648 0.80 HTR6 (0.67) HTR6ALOX12GUSBGHSRHTR7
Hydrochloric Acid SCHEMBL616819 0.80 HTR6 (0.64) HTR6ALOX12GUSBHTR7HTR1A
Hydrochloric Acid SCHEMBL114975 0.79 HTR6 (0.47) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL617500 0.79 HTR6 (0.56) HTR6ALOX12HTR7HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163279-A3 LOW-POWER WIRELESSLY-LINKED RFID TRACKING SYSTEM ROSE MARK D (US) 2012-05-10 — — WO claimed
EP-2217583-B1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-11-30 — — EP claimed
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