SCHEMBL7700627

SCHEMBL7700627

COCC(N)c1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 11/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 3/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7699872 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7696848 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7700867 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7701010 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7695046 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7699807 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7700628 0.79 MAPT (0.76) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7695229 0.78 KDM4E (0.56) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7694366 0.77 MAPT (0.44) ALDH1A1KDM4EHTTMAPTTP53
SCHEMBL7700070 0.75 TP53 (0.49) ALDH1A1KDM4EHTTMAPTTP53

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-2002100842-A1 SULFONYLOXAZOLAMINES AND THEIR USE AS 5-HT6 LIGANDS MERCK PATENT GMBH (DE) 2002-12-19 WO disclosed