SCHEMBL7141197

SCHEMBL7141197

N#Cc1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.47
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
HTR2A P28223 1/20 0.38
HSD11B1 P28845 1/20 0.37
VCAM1 P19320 1/20 0.36

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
SCHEMBL7141944 0.85 HTR6 (0.62) HTR6KMT2APOLBGAAHTT
SCHEMBL7136171 0.82 HTR6 (0.71) HTR6KMT2APOLBCA1CA2
SCHEMBL7145170 0.79 HTR6 (0.50) HTR6KMT2APOLBGAAHTT
SCHEMBL7137054 0.75 HTR6 (0.49) HTR6KMT2APOLBGAAHTT
SCHEMBL20380311 0.73 KCNJ1 (0.51) KMT2APOLBGAAHTTCA1
SCHEMBL7143678 0.73 AGTR1 (0.47) HTR6KMT2APOLBGAAHTT
SCHEMBL3158508 0.72 CA2 (0.67) KMT2APOLBGAAHTTCA1
SCHEMBL11419996 0.72 CA2 (0.67) KMT2APOLBGAAHTTCA1
SCHEMBL11855965 0.72 CA2 (0.67) KMT2APOLBGAAHTTCA1
SCHEMBL168176 0.70 CA2 (0.55) KMT2APOLBGAAHTTCA1

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-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 EP disclosed
US-5990105-A POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE HOFFMANN-LA ROCHE INC. (US) 1999-11-23 US disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP disclosed