SCHEMBL7140746

SCHEMBL7140746

CC(=O)N(C)c1cc(Br)cc(/N=N/S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 3/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC1 Q13547 1/20 0.32
MAPT P10636 2/20 0.32
TSPO P30536 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
BCAT1 P54687 1/20 0.32

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
SCHEMBL7140750 1.00 KMT2A (0.38) KMT2AALDH1A1MEN1ALOX15HSD17B10
SCHEMBL7143397 0.77 KMT2A (0.42) KMT2AALDH1A1ALOX15HSD17B10HDAC1
SCHEMBL7138321 0.67 ALDH1A1 (0.42) KMT2AALDH1A1MEN1ALOX15HSD17B10
SCHEMBL19024362 0.66 GLO1 (0.49) KMT2AALDH1A1MEN1ALOX15HSD17B10
SCHEMBL19024363 0.66 GLO1 (0.49) KMT2AALDH1A1MEN1ALOX15HSD17B10
SCHEMBL7143403 0.65 HTR6 (0.49) KMT2AALDH1A1MEN1HPGDMAPT
SCHEMBL2378380 0.64 MTNR1A (0.48) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7143701 0.64 HTR6 (0.47) KMT2AALDH1A1MEN1CYP2C19LMNA
SCHEMBL16118567 0.64 MAPT (0.53) KMT2AALDH1A1MEN1HPGDMAPT
SCHEMBL989828 0.64 ALDH1A1 (0.66) KMT2AALDH1A1MEN1ALOX15HSD17B10

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